D356-1819 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methanesulfonyl]piperidine

D356-1819 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methanesulfonyl]piperidine
D356-1819 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methanesulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-1819
4-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methanesulfonyl]piperidine

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

D356-1819

Molecular Formula

C25H31FN2O3S (C25 H31 FN2 O3 S)

Compound Name

4-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methanesulfonyl]piperidine

IUPAC name

4-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methanesulfonyl]piperidine

SMILES

O=C(C(CC1)CCN1S(Cc(cccc1)c1F)(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H31FN2O3S/c26-24-9-5-4-8-23(24)19-32(30,31)28-16-12-22(13-17-28)25(29)27-14-10-21(11-15-27)18-20-6-2-1-3-7-20/h1-9,21-22H,10-19H2

InChI Key

SXRIFPVYGXERNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14823740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-4.40

Polar Surface Area

48.220

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

D356-1819 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D356-1819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-1819?
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What is the minimum amount of D356-1819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-1819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-1819
  • 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 D356-1819 available by request