0429-0002 Screening compound: 2-(3-nitrophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

0429-0002 Screening compound: 2-(3-nitrophenyl)-1H-1,3-benzodiazole-5-carboxylic acid
0429-0002 Screening compound: 2-(3-nitrophenyl)-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0429-0002
2-(3-nitrophenyl)-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

0429-0002

Molecular Formula

C14H9N3O4 (C14 H9 N3 O4)

Compound Name

2-(3-nitrophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

IUPAC name

2-(3-nitrophenyl)-1H-13-benzodiazole-5-carboxylic acid

SMILES

[O-][N+](c1cc(-c2nc(cc(cc3)C(O)=O)c3[nH]2)ccc1)=O

InChI

InChI=1S/C14H9N3O4/c18-14(19)9-4-5-11-12(7-9)16-13(15-11)8-2-1-3-10(6-8)17(20)21/h1-7H,(H,15,16)(H,18,19)

InChI Key

SFXKPMUEOFVTTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00406188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.24

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

3.470

Distribution Coefficient, logD

1.272

Water Solubility, LogSw

-3.80

Polar Surface Area

81.048

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0429-0002 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 0429-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0429-0002?
Check Price and Availability of 0429-0002, 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 0429-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0429-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0429-0002
  • 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 0429-0002 available by request