8017-7443 Screening compound: 3-[3-(2-pyrazinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid

8017-7443 Screening compound: 3-[3-(2-pyrazinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
8017-7443 Screening compound: 3-[3-(2-pyrazinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7443
3-[3-(2-pyrazinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid

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

8017-7443

Molecular Formula

C13H9N5O2S (C13 H9 N5 O2 S)

Compound Name

3-[3-(2-pyrazinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid

IUPAC name

3-[3-(pyrazin-2-yl)-5-sulfanyl-4H-124-triazol-4-yl]benzoic acid

SMILES

OC(c1cccc(-n2c(S)nnc2-c2nccnc2)c1)=O

InChI

InChI=1S/C13H9N5O2S/c19-12(20)8-2-1-3-9(6-8)18-11(16-17-13(18)21)10-7-14-4-5-15-10/h1-7H,(H,17,21)(H,19,20)

InChI Key

CKGYBILOKMZKOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06598103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.214

Distribution Coefficient, logD

-3.418

Water Solubility, LogSw

-1.23

Polar Surface Area

70.432

Acid Dissociation Constant (pKa)

2.77

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-7443 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7443?
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What is the minimum amount of 8017-7443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7443
  • 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 8017-7443 available by request