E140-0333 Screening compound: ethyl 4-(2-{[4-oxo-6-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

E140-0333 Screening compound: ethyl 4-(2-{[4-oxo-6-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
E140-0333 Screening compound: ethyl 4-(2-{[4-oxo-6-(propan-2-yl)-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 E140-0333
ethyl 4-(2-{[4-oxo-6-(propan-2-yl)-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

E140-0333

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-4-29-20(28)14-5-7-15(8-6-14)22-18(26)12-30-21-23-17-9-10-25(13(2)3)11-16(17)19(27)24-21/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H,23,24,27)

InChI Key

FHXCGQSEVAZWFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

1.876

Water Solubility, LogSw

-2.78

Polar Surface Area

82.172

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E140-0333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E140-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0333?
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What is the minimum amount of E140-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0333
  • 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 E140-0333 available by request