E140-0749 Screening compound: 6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

E140-0749 Screening compound: 6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
E140-0749 Screening compound: 6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0749
6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

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

E140-0749

Molecular Formula

C26H28FN5O2S (C26 H28 FN5 O2 S)

Compound Name

6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

IUPAC name

6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

O=C(CSC(N1)=NC(CCN(Cc2ccccc2)C2)=C2C1=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C26H28FN5O2S/c27-20-6-8-21(9-7-20)31-12-14-32(15-13-31)24(33)18-35-26-28-23-10-11-30(17-22(23)25(34)29-26)16-19-4-2-1-3-5-19/h1-9H,10-18H2,(H,28,29,34)

InChI Key

CJMSMMHVEYAMPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.93

Polar Surface Area

57.599

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E140-0749 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E140-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0749?
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What is the minimum amount of E140-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0749
  • 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 E140-0749 available by request