K892-0207 Screening compound: N-butyl-N-ethyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0207 Screening compound: N-butyl-N-ethyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0207 Screening compound: N-butyl-N-ethyl-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 K892-0207
N-butyl-N-ethyl-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

K892-0207

Molecular Formula

C23H25F3N4O3S (C23 H25 F3 N4 O3 S)

Compound Name

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

IUPAC name

N-butyl-N-ethyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCCN(CC)C(c1c(C)c(C(N(CC(Nc2cc(C(F)(F)F)ccc2)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C23H25F3N4O3S/c1-4-6-10-29(5-2)22(33)19-14(3)18-20(34-19)27-13-30(21(18)32)12-17(31)28-16-9-7-8-15(11-16)23(24,25)26/h7-9,11,13H,4-6,10,12H2,1-3H3,(H,28,31)

InChI Key

JMGWUZPIYGVWBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.36

Polar Surface Area

65.576

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K892-0207 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K892-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0207?
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What is the minimum amount of K892-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0207
  • 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 K892-0207 available by request