8013-2466 Screening compound: 5-(2-aminobenzamido)benzene-1,3-dicarboxylic acid

8013-2466 Screening compound: 5-(2-aminobenzamido)benzene-1,3-dicarboxylic acid
8013-2466 Screening compound: 5-(2-aminobenzamido)benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2466
5-(2-aminobenzamido)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

8013-2466

Molecular Formula

C15H12N2O5 (C15 H12 N2 O5)

Compound Name

5-(2-aminobenzamido)benzene-1,3-dicarboxylic acid

IUPAC name

5-(2-aminobenzamido)benzene-13-dicarboxylic acid

SMILES

Nc(cccc1)c1C(Nc1cc(C(O)=O)cc(C(O)=O)c1)=O

InChI

InChI=1S/C15H12N2O5/c16-12-4-2-1-3-11(12)13(18)17-10-6-8(14(19)20)5-9(7-10)15(21)22/h1-7H,16H2,(H,17,18)(H,19,20)(H,21,22)

InChI Key

UWIGYBHUFTYNNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

-0.708

Water Solubility, LogSw

-3.24

Polar Surface Area

100.242

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-2466 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-2466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2466?
Check Price and Availability of 8013-2466, 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 8013-2466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2466
  • 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 8013-2466 available by request