E580-0179 Screening compound: N-(4-nitrophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

E580-0179 Screening compound: N-(4-nitrophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
E580-0179 Screening compound: N-(4-nitrophenyl)-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 E580-0179
N-(4-nitrophenyl)-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

E580-0179

Molecular Formula

C22H20N4O4S2 (C22 H20 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1NC(CSC(N(CCc1ccccc1)C1=O)=NC2=C1SCC2)=O)=O

InChI

InChI=1S/C22H20N4O4S2/c27-19(23-16-6-8-17(9-7-16)26(29)30)14-32-22-24-18-11-13-31-20(18)21(28)25(22)12-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,27)

InChI Key

MJHBVYNZJFIQEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.79

Polar Surface Area

82.617

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E580-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0179?
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What is the minimum amount of E580-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0179
  • 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 E580-0179 available by request