C430-0038 Screening compound: 2-methyl-1H-1,3-benzodiazole-5-carboxylic acid

C430-0038 Screening compound: 2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
C430-0038 Screening compound: 2-methyl-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0038
2-methyl-1H-1,3-benzodiazole-5-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

C430-0038

Molecular Formula

C9H8N2O2 (C9 H8 N2 O2)

Compound Name

2-methyl-1H-1,3-benzodiazole-5-carboxylic acid

IUPAC name

2-methyl-1H-13-benzodiazole-5-carboxylic acid

SMILES

Cc1nc(cc(cc2)C(O)=O)c2[nH]1

InChI

InChI=1S/C9H8N2O2/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)

InChI Key

GZHWABCBKGMLIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00800488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

176.17

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

1.515

Distribution Coefficient, logD

-0.683

Water Solubility, LogSw

-1.89

Polar Surface Area

47.550

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C430-0038 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C430-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0038?
Check Price and Availability of C430-0038, 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 C430-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0038
  • 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 C430-0038 available by request