0831-0279 Screening compound: N-(2-benzoyl-4-bromophenyl)-3-phenoxybenzamide

0831-0279 Screening compound: N-(2-benzoyl-4-bromophenyl)-3-phenoxybenzamide
0831-0279 Screening compound: N-(2-benzoyl-4-bromophenyl)-3-phenoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0279
N-(2-benzoyl-4-bromophenyl)-3-phenoxybenzamide

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

0831-0279

Molecular Formula

C26H18BrNO3 (C26 H18 BrNO3)

Compound Name

N-(2-benzoyl-4-bromophenyl)-3-phenoxybenzamide

IUPAC name

N-(2-benzoyl-4-bromophenyl)-3-phenoxybenzamide

SMILES

O=C(c1ccccc1)c(cc(cc1)Br)c1NC(c1cc(Oc2ccccc2)ccc1)=O

InChI

InChI=1S/C26H18BrNO3/c27-20-14-15-24(23(17-20)25(29)18-8-3-1-4-9-18)28-26(30)19-10-7-13-22(16-19)31-21-11-5-2-6-12-21/h1-17H,(H,28,30)

InChI Key

UAOABLBNFDJYMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.705

Distribution Coefficient, logD

6.551

Water Solubility, LogSw

-6.22

Polar Surface Area

42.847

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0831-0279 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 0831-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0279?
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What is the minimum amount of 0831-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0279
  • 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 0831-0279 available by request