4469-0742 Screening compound: N-(5-{2-[(3-chloro-2-methylphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)acetamide

4469-0742 Screening compound: N-(5-{2-[(3-chloro-2-methylphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)acetamide
4469-0742 Screening compound: N-(5-{2-[(3-chloro-2-methylphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0742
N-(5-{2-[(3-chloro-2-methylphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)acetamide

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

4469-0742

Molecular Formula

C16H15ClN4OS2 (C16 H15 ClN4 OS2)

Compound Name

N-(5-{2-[(3-chloro-2-methylphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)acetamide

IUPAC name

N-(5-{2-[(3-chloro-2-methylphenyl)amino]-13-thiazol-4-yl}-4-methyl-13-thiazol-2-yl)acetamide

SMILES

CC(Nc1nc(C)c(-c2csc(Nc3cccc(Cl)c3C)n2)s1)=O

InChI

InChI=1S/C16H15ClN4OS2/c1-8-11(17)5-4-6-12(8)20-15-21-13(7-23-15)14-9(2)18-16(24-14)19-10(3)22/h4-7H,1-3H3,(H,20,21)(H,18,19,22)

InChI Key

JATUPHDRWJSURU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.90

Polar Surface Area

52.113

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4469-0742 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 4469-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0742?
Check Price and Availability of 4469-0742, 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 4469-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0742
  • 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 4469-0742 available by request