8020-1687 Screening compound: 2-hydroxy-N-{[(2-methylprop-2-enamido)methanethioyl]amino}benzamide

8020-1687 Screening compound: 2-hydroxy-N-{[(2-methylprop-2-enamido)methanethioyl]amino}benzamide
8020-1687 Screening compound: 2-hydroxy-N-{[(2-methylprop-2-enamido)methanethioyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1687
2-hydroxy-N-{[(2-methylprop-2-enamido)methanethioyl]amino}benzamide

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

8020-1687

Molecular Formula

C12H13N3O3S (C12 H13 N3 O3 S)

Compound Name

2-hydroxy-N-{[(2-methylprop-2-enamido)methanethioyl]amino}benzamide

IUPAC name

2-hydroxy-N-{[(2-methylprop-2-enamido)methanethioyl]amino}benzamide

SMILES

CC(C(NC(NNC(c(cccc1)c1O)=O)=S)=O)=C

InChI

InChI=1S/C12H13N3O3S/c1-7(2)10(17)13-12(19)15-14-11(18)8-5-3-4-6-9(8)16/h3-6,16H,1H2,2H3,(H,14,18)(H2,13,15,17,19)

InChI Key

CEFJJJPVIKYDOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

0.181

Water Solubility, LogSw

-2.91

Polar Surface Area

78.164

Acid Dissociation Constant (pKa)

5.44

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8020-1687 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8020-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1687?
Check Price and Availability of 8020-1687, 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 8020-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1687
  • 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 8020-1687 available by request