D406-0318 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

D406-0318 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
D406-0318 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0318
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]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

D406-0318

Molecular Formula

C25H27N3O3S2 (C25 H27 N3 O3 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

SMILES

O=C(CSc([nH]c(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)NCCC1=CCCCC1

InChI

InChI=1S/C25H27N3O3S2/c29-22(26-17-16-19-10-4-1-5-11-19)18-32-24-25(33(30,31)21-14-8-3-9-15-21)28-23(27-24)20-12-6-2-7-13-20/h2-3,6-10,12-15H,1,4-5,11,16-18H2,(H,26,29)(H,27,28)

InChI Key

KFXDQNGEXDSDIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.55

Polar Surface Area

73.968

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D406-0318 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D406-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0318?
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What is the minimum amount of D406-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0318
  • 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 D406-0318 available by request