E580-0186 Screening compound: N-cyclopentyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

E580-0186 Screening compound: N-cyclopentyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
E580-0186 Screening compound: N-cyclopentyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0186
N-cyclopentyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-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

E580-0186

Molecular Formula

C21H25N3O2S2 (C21 H25 N3 O2 S2)

Compound Name

N-cyclopentyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-cyclopentyl-2-{[4-oxo-3-(2-phenylethyl)-3H4H6H7H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(N(CCc1ccccc1)C1=O)=NC2=C1SCC2)NC1CCCC1

InChI

InChI=1S/C21H25N3O2S2/c25-18(22-16-8-4-5-9-16)14-28-21-23-17-11-13-27-19(17)20(26)24(21)12-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,25)

InChI Key

XPUFALACGSRFFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.38

Polar Surface Area

50.649

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E580-0186 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E580-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0186?
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What is the minimum amount of E580-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0186
  • 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 E580-0186 available by request