D406-0315 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

D406-0315 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
D406-0315 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0315
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

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

D406-0315

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(CSc([nH]c(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)N1CCCCC1

InChI

InChI=1S/C22H23N3O3S2/c26-19(25-14-8-3-9-15-25)16-29-21-22(30(27,28)18-12-6-2-7-13-18)24-20(23-21)17-10-4-1-5-11-17/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,23,24)

InChI Key

PBFBWKUVMUZLGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09989645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.04

Polar Surface Area

65.855

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D406-0315 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D406-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0315?
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What is the minimum amount of D406-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0315
  • 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 D406-0315 available by request