J096-0039 Screening compound: 5-(3-bromobenzamido)-2-(methylamino)-1,3-thiazole-4-carboxamide

J096-0039 Screening compound: 5-(3-bromobenzamido)-2-(methylamino)-1,3-thiazole-4-carboxamide
J096-0039 Screening compound: 5-(3-bromobenzamido)-2-(methylamino)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J096-0039
5-(3-bromobenzamido)-2-(methylamino)-1,3-thiazole-4-carboxamide

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

J096-0039

Molecular Formula

C12H11BrN4O2S (C12 H11 BrN4 O2 S)

Compound Name

5-(3-bromobenzamido)-2-(methylamino)-1,3-thiazole-4-carboxamide

IUPAC name

5-(3-bromobenzamido)-2-(methylamino)-13-thiazole-4-carboxamide

SMILES

CNc1nc(C(N)=O)c(NC(c2cccc(Br)c2)=O)s1

InChI

InChI=1S/C12H11BrN4O2S/c1-15-12-16-8(9(14)18)11(20-12)17-10(19)6-3-2-4-7(13)5-6/h2-5H,1H3,(H2,14,18)(H,15,16)(H,17,19)

InChI Key

RBIJEFYSIZYPBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-2.79

Polar Surface Area

77.638

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

J096-0039 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J096-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J096-0039?
Check Price and Availability of J096-0039, 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 J096-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J096-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J096-0039
  • 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 J096-0039 available by request