E580-0133 Screening compound: 2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

E580-0133 Screening compound: 2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
E580-0133 Screening compound: 2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0133
2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

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

E580-0133

Molecular Formula

C20H23N3O3S2 (C20 H23 N3 O3 S2)

Compound Name

2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CSC(N(CCc1ccccc1)C1=O)=NC2=C1SCC2)N1CCOCC1

InChI

InChI=1S/C20H23N3O3S2/c24-17(22-9-11-26-12-10-22)14-28-20-21-16-7-13-27-18(16)19(25)23(20)8-6-15-4-2-1-3-5-15/h1-5H,6-14H2

InChI Key

JYIFDQSWHCBYQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-1.91

Polar Surface Area

50.387

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E580-0133 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E580-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0133?
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What is the minimum amount of E580-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0133
  • 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 E580-0133 available by request