3342-1929 Screening compound: N-(3-chlorophenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

3342-1929 Screening compound: N-(3-chlorophenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
3342-1929 Screening compound: N-(3-chlorophenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-1929
N-(3-chlorophenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

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

3342-1929

Molecular Formula

C17H18ClN3S (C17 H18 ClN3 S)

Compound Name

N-(3-chlorophenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

IUPAC name

N-(3-chlorophenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

SMILES

S=C(Nc1cccc(Cl)c1)N(CCCC1)C1c1cnccc1

InChI

InChI=1S/C17H18ClN3S/c18-14-6-3-7-15(11-14)20-17(22)21-10-2-1-8-16(21)13-5-4-9-19-12-13/h3-7,9,11-12,16H,1-2,8,10H2,(H,20,22)/t16-/m0/s1

InChI Key

XRFCUIFRWRWNSC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03826543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.32

Polar Surface Area

20.077

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

3342-1929 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3342-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-1929?
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What is the minimum amount of 3342-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-1929
  • 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 3342-1929 available by request