S976-1609 Screening compound: 1-(ethanesulfonyl)-3-fluoro-N-[(pyridin-3-yl)methyl]piperidine-3-carboxamide

S976-1609 Screening compound: 1-(ethanesulfonyl)-3-fluoro-N-[(pyridin-3-yl)methyl]piperidine-3-carboxamide
S976-1609 Screening compound: 1-(ethanesulfonyl)-3-fluoro-N-[(pyridin-3-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1609
1-(ethanesulfonyl)-3-fluoro-N-[(pyridin-3-yl)methyl]piperidine-3-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

S976-1609

Molecular Formula

C14H20FN3O3S (C14 H20 FN3 O3 S)

Compound Name

1-(ethanesulfonyl)-3-fluoro-N-[(pyridin-3-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-(ethanesulfonyl)-3-fluoro-N-[(pyridin-3-yl)methyl]piperidine-3-carboxamide

SMILES

CCS(N(CCC1)CC1(C(NCc1cnccc1)=O)F)(=O)=O

InChI

InChI=1S/C14H20FN3O3S/c1-2-22(20,21)18-8-4-6-14(15,11-18)13(19)17-10-12-5-3-7-16-9-12/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,17,19)/t14-/m0/s1

InChI Key

AFYIEEIRJRIQRL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32232463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.172

Distribution Coefficient, logD

0.169

Water Solubility, LogSw

-1.82

Polar Surface Area

65.980

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S976-1609 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S976-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1609?
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What is the minimum amount of S976-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1609
  • 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 S976-1609 available by request