K892-0160 Screening compound: ethyl 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate

K892-0160 Screening compound: ethyl 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate
K892-0160 Screening compound: ethyl 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0160
ethyl 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate

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

K892-0160

Molecular Formula

C25H25F3N4O5S (C25 H25 F3 N4 O5 S)

Compound Name

ethyl 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1c(C)c(C(N(CC(Nc2cc(C(F)(F)F)ccc2)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C25H25F3N4O5S/c1-3-37-24(36)15-7-9-31(10-8-15)23(35)20-14(2)19-21(38-20)29-13-32(22(19)34)12-18(33)30-17-6-4-5-16(11-17)25(26,27)28/h4-6,11,13,15H,3,7-10,12H2,1-2H3,(H,30,33)

InChI Key

SJUXCGRIMLHMAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.87

Polar Surface Area

86.793

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with K892-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0160?
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What is the minimum amount of K892-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0160
  • 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 K892-0160 available by request