E140-0521 Screening compound: 2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-phenylacetamide

E140-0521 Screening compound: 2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-phenylacetamide
E140-0521 Screening compound: 2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0521
2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-phenylacetamide

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

E140-0521

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(CC2)CC(C(N3)=O)=C2N=C3SCC(Nc2ccccc2)=O)c1

InChI

InChI=1S/C23H24N4O3S/c1-30-18-9-5-6-16(12-18)13-27-11-10-20-19(14-27)22(29)26-23(25-20)31-15-21(28)24-17-7-3-2-4-8-17/h2-9,12H,10-11,13-15H2,1H3,(H,24,28)(H,25,26,29)

InChI Key

XQLIWGJTOYBNLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-2.94

Polar Surface Area

68.639

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E140-0521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E140-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0521?
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What is the minimum amount of E140-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0521
  • 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 E140-0521 available by request