E140-0743 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide

E140-0743 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide
E140-0743 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0743
2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide

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

E140-0743

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide

IUPAC name

2-({6-benzyl-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide

SMILES

O=C(CSC(N1)=NC(CCN(Cc2ccccc2)C2)=C2C1=O)NC1CCCCC1

InChI

InChI=1S/C22H28N4O2S/c27-20(23-17-9-5-2-6-10-17)15-29-22-24-19-11-12-26(14-18(19)21(28)25-22)13-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,27)(H,24,25,28)

InChI Key

ODFBAESRUAFQNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.67

Polar Surface Area

62.143

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E140-0743 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E140-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0743?
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What is the minimum amount of E140-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0743
  • 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 E140-0743 available by request