K892-0213 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0213 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0213 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-methyl-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 K892-0213
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-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

K892-0213

Molecular Formula

C24H17F3N4O5S (C24 H17 F3 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc2)cc3c2OCO3)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C24H17F3N4O5S/c1-12-19-22(37-20(12)21(33)30-15-5-6-16-17(8-15)36-11-35-16)28-10-31(23(19)34)9-18(32)29-14-4-2-3-13(7-14)24(25,26)27/h2-8,10H,9,11H2,1H3,(H,29,32)(H,30,33)

InChI Key

RKVKZPOIIKJYRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.41

Polar Surface Area

89.597

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K892-0213 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K892-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0213?
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What is the minimum amount of K892-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0213
  • 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 K892-0213 available by request