3342-1946 Screening compound: N-(2,5-dimethoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

3342-1946 Screening compound: N-(2,5-dimethoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
3342-1946 Screening compound: N-(2,5-dimethoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-1946
N-(2,5-dimethoxyphenyl)-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

3342-1946

Molecular Formula

C19H23N3O2S (C19 H23 N3 O2 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

IUPAC name

N-(25-dimethoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide

SMILES

COc(cc1)cc(NC(N(CCCC2)C2c2cnccc2)=S)c1OC

InChI

InChI=1S/C19H23N3O2S/c1-23-15-8-9-18(24-2)16(12-15)21-19(25)22-11-4-3-7-17(22)14-6-5-10-20-13-14/h5-6,8-10,12-13,17H,3-4,7,11H2,1-2H3,(H,21,25)/t17-/m0/s1

InChI Key

SYYWPRVZHZCJSM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03447088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.25

Polar Surface Area

34.553

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

3342-1946 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3342-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-1946?
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What is the minimum amount of 3342-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-1946
  • 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 3342-1946 available by request