E140-0013 Screening compound: ethyl 4-[2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

E140-0013 Screening compound: ethyl 4-[2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
E140-0013 Screening compound: ethyl 4-[2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0013
ethyl 4-[2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

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

E140-0013

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSC(N1)=NC(CCN(Cc2ccccc2)C2)=C2C1=O)=O)=O

InChI

InChI=1S/C25H26N4O4S/c1-2-33-24(32)18-8-10-19(11-9-18)26-22(30)16-34-25-27-21-12-13-29(15-20(21)23(31)28-25)14-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,26,30)(H,27,28,31)

InChI Key

QZAUBLBBLHMUBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.39

Polar Surface Area

81.849

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E140-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E140-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0013?
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What is the minimum amount of E140-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0013
  • 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 E140-0013 available by request