G964-0475 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

G964-0475 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
G964-0475 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G964-0475
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-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

G964-0475

Molecular Formula

C21H30F3N3O (C21 H30 F3 N3 O)

Compound Name

4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

IUPAC name

4-[(35-dimethylpiperidin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

SMILES

CC1CN(CC(CC2)CCN2C(Nc2c(C(F)(F)F)cccc2)=O)CC(C)C1

InChI

InChI=1S/C21H30F3N3O/c1-15-11-16(2)13-26(12-15)14-17-7-9-27(10-8-17)20(28)25-19-6-4-3-5-18(19)21(22,23)24/h3-6,15-17H,7-14H2,1-2H3,(H,25,28)

InChI Key

WNWCZKGIQNWOOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-4.51

Polar Surface Area

28.609

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

G964-0475 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 G964-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G964-0475?
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What is the minimum amount of G964-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G964-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G964-0475
  • 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 G964-0475 available by request