E140-0248 Screening compound: N-(4-ethylphenyl)-2-{[4-oxo-6-(1-phenylethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide

E140-0248 Screening compound: N-(4-ethylphenyl)-2-{[4-oxo-6-(1-phenylethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
E140-0248 Screening compound: N-(4-ethylphenyl)-2-{[4-oxo-6-(1-phenylethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0248
N-(4-ethylphenyl)-2-{[4-oxo-6-(1-phenylethyl)-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

E140-0248

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

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

IUPAC name

N-(4-ethylphenyl)-2-{[4-oxo-6-(1-phenylethyl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CCc(cc1)ccc1NC(CSC(N1)=NC(CCN(C2)C(C)c3ccccc3)=C2C1=O)=O

InChI

InChI=1S/C25H28N4O2S/c1-3-18-9-11-20(12-10-18)26-23(30)16-32-25-27-22-13-14-29(15-21(22)24(31)28-25)17(2)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,26,30)(H,27,28,31)/t17-/m0/s1

InChI Key

SXRMZFHVKYFOMZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06403981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.85

Polar Surface Area

60.767

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

E140-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E140-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0248?
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What is the minimum amount of E140-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0248
  • 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 E140-0248 available by request