J096-0027 Screening compound: 2-(methylamino)-5-{[2-(2-thienyl)acetyl]amino}-1,3-thiazole-4-carboxamide

J096-0027 Screening compound: 2-(methylamino)-5-{[2-(2-thienyl)acetyl]amino}-1,3-thiazole-4-carboxamide
J096-0027 Screening compound: 2-(methylamino)-5-{[2-(2-thienyl)acetyl]amino}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J096-0027
2-(methylamino)-5-{[2-(2-thienyl)acetyl]amino}-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

J096-0027

Molecular Formula

C11H12N4O2S2 (C11 H12 N4 O2 S2)

Compound Name

2-(methylamino)-5-{[2-(2-thienyl)acetyl]amino}-1,3-thiazole-4-carboxamide

IUPAC name

n/a

SMILES

CNc1nc(C(N)=O)c(NC(Cc2cccs2)=O)s1

InChI

InChI=1S/C11H12N4O2S2/c1-13-11-15-8(9(12)17)10(19-11)14-7(16)5-6-3-2-4-18-6/h2-4H,5H2,1H3,(H2,12,17)(H,13,15)(H,14,16)

InChI Key

GXYOEGQFNYAOJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.477

Distribution Coefficient, logD

0.472

Water Solubility, LogSw

-2.13

Polar Surface Area

78.443

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J096-0027 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J096-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J096-0027?
Check Price and Availability of J096-0027, 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 J096-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J096-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J096-0027
  • 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 J096-0027 available by request