E140-0598 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

E140-0598 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
E140-0598 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0598
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)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

E140-0598

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

IUPAC name

2-({6-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC(N1)=NC(CCN(Cc(cc2)cc3c2OCO3)C2)=C2C1=O)=O

InChI

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

InChI Key

OTFJEHCTFTYCEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.53

Polar Surface Area

78.211

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E140-0598 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E140-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0598?
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What is the minimum amount of E140-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0598
  • 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 E140-0598 available by request