8020-0672 Screening compound: 1H-1,3-benzodiazole-2-carboxylic acid

8020-0672 Screening compound: 1H-1,3-benzodiazole-2-carboxylic acid
8020-0672 Screening compound: 1H-1,3-benzodiazole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0672
1H-1,3-benzodiazole-2-carboxylic 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

8020-0672

Molecular Formula

C8H6N2O2 (C8 H6 N2 O2)

Compound Name

1H-1,3-benzodiazole-2-carboxylic acid

IUPAC name

1H-13-benzodiazole-2-carboxylic acid

SMILES

OC(c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)

InChI Key

RHXSYTACTOMVLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00721565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

162.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.881

Distribution Coefficient, logD

-4.557

Water Solubility, LogSw

-1.72

Polar Surface Area

47.938

Acid Dissociation Constant (pKa)

2.90

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-0672 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
  • Fragments
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0672?
Check Price and Availability of 8020-0672, 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 8020-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0672
  • 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 8020-0672 available by request