8012-5215 Screening compound: 2-(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

8012-5215 Screening compound: 2-(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
8012-5215 Screening compound: 2-(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5215
2-(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8012-5215

Molecular Formula

C7H8N6OS2 (C7 H8 N6 OS2)

Compound Name

2-(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-(4-amino-5-sulfanylidene-45-dihydro-1H-124-triazol-1-yl)-N-(13-thiazol-2-yl)acetamide

SMILES

NN(C=NN1CC(Nc2nccs2)=O)C1=S

InChI

InChI=1S/C7H8N6OS2/c8-12-4-10-13(7(12)15)3-5(14)11-6-9-1-2-16-6/h1-2,4H,3,8H2,(H,9,11,14)

InChI Key

HAVXDSQAFOCISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.616

Distribution Coefficient, logD

-0.616

Water Solubility, LogSw

-1.80

Polar Surface Area

69.953

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8012-5215 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8012-5215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5215?
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What is the minimum amount of 8012-5215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5215
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8012-5215 available by request