8013-5643 Screening compound: 3-(2,2-diphenylacetamido)-3-(3-nitrophenyl)propanoic acid

8013-5643 Screening compound: 3-(2,2-diphenylacetamido)-3-(3-nitrophenyl)propanoic acid
8013-5643 Screening compound: 3-(2,2-diphenylacetamido)-3-(3-nitrophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5643
3-(2,2-diphenylacetamido)-3-(3-nitrophenyl)propanoic 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

8013-5643

Molecular Formula

C23H20N2O5 (C23 H20 N2 O5)

Compound Name

3-(2,2-diphenylacetamido)-3-(3-nitrophenyl)propanoic acid

IUPAC name

3-(22-diphenylacetamido)-3-(3-nitrophenyl)propanoic acid

SMILES

[O-][N+](c1cc(C(CC(O)=O)NC(C(c2ccccc2)c2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C23H20N2O5/c26-21(27)15-20(18-12-7-13-19(14-18)25(29)30)24-23(28)22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20,22H,15H2,(H,24,28)(H,26,27)/t20-/m0/s1

InChI Key

DDNYJANJKVTNPR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03158687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-4.05

Polar Surface Area

85.776

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

8013-5643 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-5643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5643?
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What is the minimum amount of 8013-5643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5643
  • 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 8013-5643 available by request