8006-0975 Screening compound: 5-(3-nitrobenzamido)benzene-1,3-dicarboxylic acid

8006-0975 Screening compound: 5-(3-nitrobenzamido)benzene-1,3-dicarboxylic acid
8006-0975 Screening compound: 5-(3-nitrobenzamido)benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0975
5-(3-nitrobenzamido)benzene-1,3-dicarboxylic 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

8006-0975

Molecular Formula

C15H10N2O7 (C15 H10 N2 O7)

Compound Name

5-(3-nitrobenzamido)benzene-1,3-dicarboxylic acid

IUPAC name

5-(3-nitrobenzamido)benzene-13-dicarboxylic acid

SMILES

[O-][N+](c1cc(C(Nc2cc(C(O)=O)cc(C(O)=O)c2)=O)ccc1)=O

InChI

InChI=1S/C15H10N2O7/c18-13(8-2-1-3-12(7-8)17(23)24)16-11-5-9(14(19)20)4-10(6-11)15(21)22/h1-7H,(H,16,18)(H,19,20)(H,21,22)

InChI Key

COAGJUQVQMRPPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00385421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.25

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

-0.213

Water Solubility, LogSw

-3.38

Polar Surface Area

113.527

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-0975 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0975?
Check Price and Availability of 8006-0975, 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 8006-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0975
  • 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 8006-0975 available by request