K892-0181 Screening compound: 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0181 Screening compound: 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0181 Screening compound: 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0181
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-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

K892-0181

Molecular Formula

C25H18F3N5O3S2 (C25 H18 F3 N5 O3 S2)

Compound Name

5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

5-methyl-N-(4-methyl-13-benzothiazol-2-yl)-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc2nc(c(C)ccc3)c3s2)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C25H18F3N5O3S2/c1-12-5-3-8-16-19(12)31-24(37-16)32-21(35)20-13(2)18-22(38-20)29-11-33(23(18)36)10-17(34)30-15-7-4-6-14(9-15)25(26,27)28/h3-9,11H,10H2,1-2H3,(H,30,34)(H,31,32,35)

InChI Key

GNCDIEKAUZKTLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.460

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.63

Polar Surface Area

83.014

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K892-0181 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Phosphatases
  • Kinases

References: we are preparing a list of scientific research reports with K892-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0181?
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What is the minimum amount of K892-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0181
  • 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 K892-0181 available by request