0986-0083 Screening compound: N-(4-{[1,1'-biphenyl]-4-yl}-5-methyl-1,3-thiazol-2-yl)-4-bromobenzamide

0986-0083 Screening compound: N-(4-{[1,1'-biphenyl]-4-yl}-5-methyl-1,3-thiazol-2-yl)-4-bromobenzamide
0986-0083 Screening compound: N-(4-{[1,1'-biphenyl]-4-yl}-5-methyl-1,3-thiazol-2-yl)-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0986-0083
N-(4-{[1,1'-biphenyl]-4-yl}-5-methyl-1,3-thiazol-2-yl)-4-bromobenzamide

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

0986-0083

Molecular Formula

C23H17BrN2OS (C23 H17 BrN2 OS)

Compound Name

N-(4-{[1,1'-biphenyl]-4-yl}-5-methyl-1,3-thiazol-2-yl)-4-bromobenzamide

IUPAC name

N-(4-{[11'-biphenyl]-4-yl}-5-methyl-13-thiazol-2-yl)-4-bromobenzamide

SMILES

Cc1c(-c(cc2)ccc2-c2ccccc2)nc(NC(c(cc2)ccc2Br)=O)s1

InChI

InChI=1S/C23H17BrN2OS/c1-15-21(18-9-7-17(8-10-18)16-5-3-2-4-6-16)25-23(28-15)26-22(27)19-11-13-20(24)14-12-19/h2-14H,1H3,(H,25,26,27)

InChI Key

HXEICBZHIJDYJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.085

Distribution Coefficient, logD

7.025

Water Solubility, LogSw

-6.01

Polar Surface Area

33.603

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

0986-0083 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0986-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0986-0083?
Check Price and Availability of 0986-0083, 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 0986-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0986-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0986-0083
  • 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 0986-0083 available by request