K292-1368 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

K292-1368 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide
K292-1368 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1368
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

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

K292-1368

Molecular Formula

C29H32N4O6S2 (C29 H32 N4 O6 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-6-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl)hexanamide

SMILES

COc(ccc(CCNC(CCCCCN(C1=O)C(SCc(cc2)ccc2[N+]([O-])=O)=Nc2c1scc2)=O)c1)c1OC

InChI

InChI=1S/C29H32N4O6S2/c1-38-24-12-9-20(18-25(24)39-2)13-15-30-26(34)6-4-3-5-16-32-28(35)27-23(14-17-40-27)31-29(32)41-19-21-7-10-22(11-8-21)33(36)37/h7-12,14,17-18H,3-6,13,15-16,19H2,1-2H3,(H,30,34)

InChI Key

KOOHRLWVEFPILP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-3.90

Polar Surface Area

99.723

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

K292-1368 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 K292-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1368?
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What is the minimum amount of K292-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1368
  • 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 K292-1368 available by request