0133-0054 Screening compound: 2-benzoyl-4-bromoaniline

0133-0054 Screening compound: 2-benzoyl-4-bromoaniline
0133-0054 Screening compound: 2-benzoyl-4-bromoaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0054
2-benzoyl-4-bromoaniline

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

0133-0054

Molecular Formula

C13H10BrNO (C13 H10 BrNO)

Compound Name

2-benzoyl-4-bromoaniline

IUPAC name

2-benzoyl-4-bromoaniline

SMILES

Nc(ccc(Br)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C13H10BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2

InChI Key

LXJVUGANBDAASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00059962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.13

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.86

Polar Surface Area

33.802

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0133-0054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0133-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0054?
Check Price and Availability of 0133-0054, 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 0133-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0054
  • 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 0133-0054 available by request