K292-1342 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

K292-1342 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide
K292-1342 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1342
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

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

K292-1342

Molecular Formula

C27H23F3N4O5S2 (C27 H23 F3 N4 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H4H-thieno[32-d]pyrimidin-3-yl}butanamide

SMILES

O=C(CCCN(C1=O)C(SCC(Nc2c(C(F)(F)F)cccc2)=O)=Nc2c1scc2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H23F3N4O5S2/c28-27(29,30)17-4-1-2-5-18(17)32-23(36)14-41-26-33-19-9-11-40-24(19)25(37)34(26)10-3-6-22(35)31-13-16-7-8-20-21(12-16)39-15-38-20/h1-2,4-5,7-9,11-12H,3,6,10,13-15H2,(H,31,35)(H,32,36)

InChI Key

NXMNZURPPPTBMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-4.10

Polar Surface Area

90.806

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K292-1342 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 K292-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1342?
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What is the minimum amount of K292-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1342
  • 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 K292-1342 available by request