ZINC64700951

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MedKoo CAT#: 564761

CAS#: NONE

Description: ZINC64700951 is a gp120 of HIV-1 antagonist.

Chemical Structure

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ZINC64700951
CAS# NONE
Instruction

Theoretical Analysis

MedKoo Cat#: 564761
Name: ZINC64700951
CAS#: NONE
Chemical Formula: C21H22ClN5O2S
Exact Mass: 443.12
Molecular Weight: 443.950
Elemental Analysis: C, 56.82; H, 5.00; Cl, 7.99; N, 15.78; O, 7.21; S, 7.22

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: ZINC-64700951; ZINC 64700951; ZINC64700951

IUPAC/Chemical Name: N-(3-Chloro-2-methylphenyl)-2-(((3aR,7R)-4-oxo-2-(p-tolyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-d][1,2,4]triazin-7-yl)thio)acetamide

InChi Key: IZRWMCVTMHMUEI-WIYYLYMNSA-N

InChi Code: InChI=1S/C21H22ClN5O2S/c1-12-6-8-14(9-7-12)17-10-18-20(29)24-25-21(27(18)26-17)30-11-19(28)23-16-5-3-4-15(22)13(16)2/h3-10,18,21,25-26H,11H2,1-2H3,(H,23,28)(H,24,29)/t18-,21-/m1/s1

SMILES Code: O=C(NC1=CC=CC(Cl)=C1C)CS[C@@H](N2[C@]3([H])C=C(C4=CC=C(C)C=C4)N2)NNC3=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 443.95 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Berinyuy E, Soliman MES. Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per-Residue Energy Contribution-Based Pharmacophore modelling. Interdiscip Sci. 2017 Sep;9(3):406-418. doi: 10.1007/s12539-016-0174-7. Epub 2016 May 10. PubMed PMID: 27165479.