K892-0199 Screening compound: N-(2,2-diethoxyethyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0199 Screening compound: N-(2,2-diethoxyethyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0199 Screening compound: N-(2,2-diethoxyethyl)-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 K892-0199
N-(2,2-diethoxyethyl)-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

K892-0199

Molecular Formula

C23H25F3N4O5S (C23 H25 F3 N4 O5 S)

Compound Name

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

IUPAC name

N-(22-diethoxyethyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCOC(CNC(c1c(C)c(C(N(CC(Nc2cc(C(F)(F)F)ccc2)=O)C=N2)=O)c2s1)=O)OCC

InChI

InChI=1S/C23H25F3N4O5S/c1-4-34-17(35-5-2)10-27-20(32)19-13(3)18-21(36-19)28-12-30(22(18)33)11-16(31)29-15-8-6-7-14(9-15)23(24,25)26/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,27,32)(H,29,31)

InChI Key

LIACUFOFDDPVNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.34

Polar Surface Area

88.729

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K892-0199 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K892-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0199?
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What is the minimum amount of K892-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0199
  • 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 K892-0199 available by request