K892-0220 Screening compound: ethyl 2-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-amido]benzoate

K892-0220 Screening compound: ethyl 2-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-amido]benzoate
K892-0220 Screening compound: ethyl 2-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0220
ethyl 2-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-amido]benzoate

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

K892-0220

Molecular Formula

C26H21F3N4O5S (C26 H21 F3 N4 O5 S)

Compound Name

ethyl 2-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-amido]benzoate

IUPAC name

ethyl 2-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-amido]benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)c(C(N(CC(Nc2cc(C(F)(F)F)ccc2)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C26H21F3N4O5S/c1-3-38-25(37)17-9-4-5-10-18(17)32-22(35)21-14(2)20-23(39-21)30-13-33(24(20)36)12-19(34)31-16-8-6-7-15(11-16)26(27,28)29/h4-11,13H,3,12H2,1-2H3,(H,31,34)(H,32,35)

InChI Key

DQNMYBWOMXDJSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-4.53

Polar Surface Area

92.538

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K892-0220 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K892-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0220?
Check Price and Availability of K892-0220, 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 K892-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0220
  • 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 K892-0220 available by request