K023-0001 Screening compound: 2-bromo-N-{4-[(3-methylphenyl)carbamoyl]phenyl}benzamide

K023-0001 Screening compound: 2-bromo-N-{4-[(3-methylphenyl)carbamoyl]phenyl}benzamide
K023-0001 Screening compound: 2-bromo-N-{4-[(3-methylphenyl)carbamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K023-0001
2-bromo-N-{4-[(3-methylphenyl)carbamoyl]phenyl}benzamide

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

K023-0001

Molecular Formula

C21H17BrN2O2 (C21 H17 BrN2 O2)

Compound Name

2-bromo-N-{4-[(3-methylphenyl)carbamoyl]phenyl}benzamide

IUPAC name

2-bromo-N-{4-[(3-methylphenyl)carbamoyl]phenyl}benzamide

SMILES

Cc1cccc(NC(c(cc2)ccc2NC(c(cccc2)c2Br)=O)=O)c1

InChI

InChI=1S/C21H17BrN2O2/c1-14-5-4-6-17(13-14)24-20(25)15-9-11-16(12-10-15)23-21(26)18-7-2-3-8-19(18)22/h2-13H,1H3,(H,23,26)(H,24,25)

InChI Key

RWDUCQAMPGNHFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.438

Water Solubility, LogSw

-4.39

Polar Surface Area

46.421

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K023-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K023-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K023-0001?
Check Price and Availability of K023-0001, 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 K023-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K023-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K023-0001
  • 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 K023-0001 available by request