E140-1079 Screening compound: N-[(4-methoxyphenyl)methyl]-2-({6-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide

E140-1079 Screening compound: N-[(4-methoxyphenyl)methyl]-2-({6-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
E140-1079 Screening compound: N-[(4-methoxyphenyl)methyl]-2-({6-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-1079
N-[(4-methoxyphenyl)methyl]-2-({6-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide

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

E140-1079

Molecular Formula

C25H28N4O4S (C25 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(CSC(N2)=NC(CCN(Cc(cc3)ccc3OC)C3)=C3C2=O)=O)cc1

InChI

InChI=1S/C25H28N4O4S/c1-32-19-7-3-17(4-8-19)13-26-23(30)16-34-25-27-22-11-12-29(15-21(22)24(31)28-25)14-18-5-9-20(33-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,26,30)(H,27,28,31)

InChI Key

JWAMNCAPUSYYJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-2.68

Polar Surface Area

77.505

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E140-1079 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E140-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-1079?
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What is the minimum amount of E140-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-1079
  • 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 E140-1079 available by request