2202-0023 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-bromobenzamido)benzoate

2202-0023 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-bromobenzamido)benzoate
2202-0023 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-bromobenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2202-0023
2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-bromobenzamido)benzoate

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

2202-0023

Molecular Formula

C28H20BrNO4 (C28 H20 BrNO4)

Compound Name

2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-bromobenzamido)benzoate

IUPAC name

2-{[11'-biphenyl]-4-yl}-2-oxoethyl 4-(4-bromobenzamido)benzoate

SMILES

O=C(COC(c(cc1)ccc1NC(c(cc1)ccc1Br)=O)=O)c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C28H20BrNO4/c29-24-14-10-22(11-15-24)27(32)30-25-16-12-23(13-17-25)28(33)34-18-26(31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-17H,18H2,(H,30,32)

InChI Key

CBJVDNIMVLLADR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.662

Distribution Coefficient, logD

6.634

Water Solubility, LogSw

-6.44

Polar Surface Area

57.163

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

2202-0023 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2202-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2202-0023?
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What is the minimum amount of 2202-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2202-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2202-0023
  • 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 2202-0023 available by request