E140-0752 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-cyanophenyl)acetamide

E140-0752 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-cyanophenyl)acetamide
E140-0752 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-cyanophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0752
2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-cyanophenyl)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

E140-0752

Molecular Formula

C23H21N5O2S (C23 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(NC(CSC(N2)=NC(CCN(Cc3ccccc3)C3)=C3C2=O)=O)c1

InChI

InChI=1S/C23H21N5O2S/c24-12-17-7-4-8-18(11-17)25-21(29)15-31-23-26-20-9-10-28(14-19(20)22(30)27-23)13-16-5-2-1-3-6-16/h1-8,11H,9-10,13-15H2,(H,25,29)(H,26,27,30)

InChI Key

RKULEHHPTPZNQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

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

2.394

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.94

Polar Surface Area

78.151

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E140-0752 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E140-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0752?
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What is the minimum amount of E140-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0752
  • 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 E140-0752 available by request