K213-0072 Screening compound: 2-bromo-N-[2-(2-methylbenzamido)phenyl]benzamide

K213-0072 Screening compound: 2-bromo-N-[2-(2-methylbenzamido)phenyl]benzamide
K213-0072 Screening compound: 2-bromo-N-[2-(2-methylbenzamido)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K213-0072
2-bromo-N-[2-(2-methylbenzamido)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

K213-0072

Molecular Formula

C21H17BrN2O2 (C21 H17 BrN2 O2)

Compound Name

2-bromo-N-[2-(2-methylbenzamido)phenyl]benzamide

IUPAC name

2-bromo-N-[2-(2-methylbenzamido)phenyl]benzamide

SMILES

Cc(cccc1)c1C(Nc(cccc1)c1NC(c(cccc1)c1Br)=O)=O

InChI

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

InChI Key

IHLFYZARFYRSAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933631

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

4.148

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.36

Polar Surface Area

45.025

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K213-0072 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K213-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K213-0072?
Check Price and Availability of K213-0072, 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 K213-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K213-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K213-0072
  • 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 K213-0072 available by request