E580-0175 Screening compound: 2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide

E580-0175 Screening compound: 2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
E580-0175 Screening compound: 2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0175
2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]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

E580-0175

Molecular Formula

C23H20F3N3O2S2 (C23 H20 F3 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(CCc1ccccc1)C1=O)=NC2=C1SCC2)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C23H20F3N3O2S2/c24-23(25,26)16-6-8-17(9-7-16)27-19(30)14-33-22-28-18-11-13-32-20(18)21(31)29(22)12-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,27,30)

InChI Key

RXIKZTNAZOJRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

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

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.43

Polar Surface Area

49.236

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with E580-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0175?
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What is the minimum amount of E580-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0175
  • 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 E580-0175 available by request