D356-0354 Screening compound: N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-phenylmethanesulfonylpiperidine-4-carboxamide

D356-0354 Screening compound: N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-phenylmethanesulfonylpiperidine-4-carboxamide
D356-0354 Screening compound: N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-phenylmethanesulfonylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-0354
N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-phenylmethanesulfonylpiperidine-4-carboxamide

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

D356-0354

Molecular Formula

C23H30N2O3S2 (C23 H30 N2 O3 S2)

Compound Name

N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-phenylmethanesulfonylpiperidine-4-carboxamide

IUPAC name

N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-phenylmethanesulfonylpiperidine-4-carboxamide

SMILES

Cc1cccc(CSCCNC(C(CC2)CCN2S(Cc2ccccc2)(=O)=O)=O)c1

InChI

InChI=1S/C23H30N2O3S2/c1-19-6-5-9-21(16-19)17-29-15-12-24-23(26)22-10-13-25(14-11-22)30(27,28)18-20-7-3-2-4-8-20/h2-9,16,22H,10-15,17-18H2,1H3,(H,24,26)

InChI Key

AKXMNNVRJJZIBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14822560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-3.72

Polar Surface Area

56.098

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D356-0354 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D356-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-0354?
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What is the minimum amount of D356-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-0354
  • 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 D356-0354 available by request