3952-1036 Screening compound: 3,4-bis(2-phenylacetamido)benzoic acid

3952-1036 Screening compound: 3,4-bis(2-phenylacetamido)benzoic acid
3952-1036 Screening compound: 3,4-bis(2-phenylacetamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-1036
3,4-bis(2-phenylacetamido)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

3952-1036

Molecular Formula

C23H20N2O4 (C23 H20 N2 O4)

Compound Name

3,4-bis(2-phenylacetamido)benzoic acid

IUPAC name

34-bis(2-phenylacetamido)benzoic acid

SMILES

OC(c(cc1)cc(NC(Cc2ccccc2)=O)c1NC(Cc1ccccc1)=O)=O

InChI

InChI=1S/C23H20N2O4/c26-21(13-16-7-3-1-4-8-16)24-19-12-11-18(23(28)29)15-20(19)25-22(27)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,24,26)(H,25,27)(H,28,29)

InChI Key

SZTOFGZLUFFDKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-3.36

Polar Surface Area

73.007

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3952-1036 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3952-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-1036?
Check Price and Availability of 3952-1036, 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 3952-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-1036
  • 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 3952-1036 available by request