C331-1588 Screening compound: 2-{[2-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

C331-1588 Screening compound: 2-{[2-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
C331-1588 Screening compound: 2-{[2-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1588
2-{[2-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)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

C331-1588

Molecular Formula

C23H26FN3O3S (C23 H26 FN3 O3 S)

Compound Name

2-{[2-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

IUPAC name

2-{[2-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

SMILES

CCOc(cc1)ccc1-c1nc(SCC(NCCCOC)=O)c(-c(cc2)ccc2F)[nH]1

InChI

InChI=1S/C23H26FN3O3S/c1-3-30-19-11-7-17(8-12-19)22-26-21(16-5-9-18(24)10-6-16)23(27-22)31-15-20(28)25-13-4-14-29-2/h5-12H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

UWIWOOCRQBNCIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.12

Polar Surface Area

59.966

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C331-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1588?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1588
  • 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 C331-1588 available by request