2164-0644 Screening compound: 3-(3-nitrobenzamido)benzoic acid

2164-0644 Screening compound: 3-(3-nitrobenzamido)benzoic acid
2164-0644 Screening compound: 3-(3-nitrobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2164-0644
3-(3-nitrobenzamido)benzoic 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

2164-0644

Molecular Formula

C14H10N2O5 (C14 H10 N2 O5)

Compound Name

3-(3-nitrobenzamido)benzoic acid

IUPAC name

3-(3-nitrobenzamido)benzoic acid

SMILES

[O-][N+](c1cc(C(Nc2cc(C(O)=O)ccc2)=O)ccc1)=O

InChI

InChI=1S/C14H10N2O5/c17-13(9-3-2-6-12(8-9)16(20)21)15-11-5-1-4-10(7-11)14(18)19/h1-8H,(H,15,17)(H,18,19)

InChI Key

WDZJWBKUKXGVAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00413328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

0.205

Water Solubility, LogSw

-3.43

Polar Surface Area

85.119

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2164-0644 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 2164-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2164-0644?
Check Price and Availability of 2164-0644, 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 2164-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2164-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2164-0644
  • 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 2164-0644 available by request