E580-0054 Screening compound: 2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

E580-0054 Screening compound: 2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
E580-0054 Screening compound: 2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0054
2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(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

E580-0054

Molecular Formula

C22H18F3N3O2S2 (C22 H18 F3 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(Cc1ccccc1)C1=O)=NC2=C1SCC2)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H18F3N3O2S2/c23-22(24,25)15-7-4-8-16(11-15)26-18(29)13-32-21-27-17-9-10-31-19(17)20(30)28(21)12-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,26,29)

InChI Key

FLAADJGGQDMGCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05963629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.53

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

4.557

Distribution Coefficient, logD

4.557

Water Solubility, LogSw

-4.47

Polar Surface Area

49.257

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E580-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0054?
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What is the minimum amount of E580-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0054
  • 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 E580-0054 available by request