K892-0204 Screening compound: 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxamide

K892-0204 Screening compound: 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxamide
K892-0204 Screening compound: 1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0204
1-[5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-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

K892-0204

Molecular Formula

C23H22F3N5O4S (C23 H22 F3 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(CC2)CCC2C(N)=O)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C23H22F3N5O4S/c1-12-17-20(36-18(12)22(35)30-7-5-13(6-8-30)19(27)33)28-11-31(21(17)34)10-16(32)29-15-4-2-3-14(9-15)23(24,25)26/h2-4,9,11,13H,5-8,10H2,1H3,(H2,27,33)(H,29,32)

InChI Key

SPKXBCANGZCVSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.90

Polar Surface Area

100.098

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with K892-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0204?
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What is the minimum amount of K892-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0204
  • 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 K892-0204 available by request