E580-0189 Screening compound: N-benzyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

E580-0189 Screening compound: N-benzyl-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
E580-0189 Screening compound: N-benzyl-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 E580-0189
N-benzyl-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

E580-0189

Molecular Formula

C23H23N3O2S2 (C23 H23 N3 O2 S2)

Compound Name

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

IUPAC name

N-benzyl-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)NCc1ccccc1

InChI

InChI=1S/C23H23N3O2S2/c27-20(24-15-18-9-5-2-6-10-18)16-30-23-25-19-12-14-29-21(19)22(28)26(23)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,24,27)

InChI Key

NYZMKZHMBCQCRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.40

Polar Surface Area

50.558

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with E580-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0189?
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What is the minimum amount of E580-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0189
  • 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 E580-0189 available by request