8020-6003 Screening compound: 2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid

8020-6003 Screening compound: 2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid
8020-6003 Screening compound: 2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6003
2-(3-amino-1H-1,2,4-triazol-5-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

8020-6003

Molecular Formula

C9H8N4O2 (C9 H8 N4 O2)

Compound Name

2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid

IUPAC name

2-(3-amino-1H-124-triazol-5-yl)benzoic acid

SMILES

Nc1n[nH]c(-c(cccc2)c2C(O)=O)n1

InChI

InChI=1S/C9H8N4O2/c10-9-11-7(12-13-9)5-3-1-2-4-6(5)8(14)15/h1-4H,(H,14,15)(H3,10,11,12,13)

InChI Key

GSWHDMVMXOOKEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.647

Distribution Coefficient, logD

-3.971

Water Solubility, LogSw

-1.96

Polar Surface Area

82.898

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-6003 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-6003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6003?
Check Price and Availability of 8020-6003, 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 8020-6003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6003
  • 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 8020-6003 available by request