8006-1302 Screening compound: 2-methyl-1-phenyl-1H-1,3-benzodiazole-5-carboxylic acid

8006-1302 Screening compound: 2-methyl-1-phenyl-1H-1,3-benzodiazole-5-carboxylic acid
8006-1302 Screening compound: 2-methyl-1-phenyl-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1302
2-methyl-1-phenyl-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

8006-1302

Molecular Formula

C15H12N2O2 (C15 H12 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(cc(cc2)C(O)=O)c2n1-c1ccccc1

InChI

InChI=1S/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)

InChI Key

HLIJMHKQYSUDOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00218479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

0.805

Water Solubility, LogSw

-3.14

Polar Surface Area

40.096

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8006-1302 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Fragments Library (11262 compounds)

Lipid Metabolism Library (9174 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1302?
Check Price and Availability of 8006-1302, 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 8006-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1302
  • 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 8006-1302 available by request