8020-4624 Screening compound: (2E)-2-cyano-3-(4-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide

8020-4624 Screening compound: (2E)-2-cyano-3-(4-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide
8020-4624 Screening compound: (2E)-2-cyano-3-(4-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4624
(2E)-2-cyano-3-(4-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide

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

8020-4624

Molecular Formula

C11H10N6S3 (C11 H10 N6 S3)

Compound Name

(2E)-2-cyano-3-(4-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide

IUPAC name

(2E)-2-cyano-3-(4-{[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide

SMILES

Cn1nnnc1SCc1csc(/C=C(/C(N)=S)\C#N)c1

InChI

InChI=1S/C11H10N6S3/c1-17-11(14-15-16-17)20-6-7-2-9(19-5-7)3-8(4-12)10(13)18/h2-3,5H,6H2,1H3,(H2,13,18)

InChI Key

MXQUFPBVQLSMIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07190061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

1.357

Water Solubility, LogSw

-1.73

Polar Surface Area

77.838

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8020-4624 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 8020-4624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4624?
Check Price and Availability of 8020-4624, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-4624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4624
  • 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 8020-4624 available by request