S471-0965 Screening compound: N-(2,4-difluorophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

S471-0965 Screening compound: N-(2,4-difluorophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
S471-0965 Screening compound: N-(2,4-difluorophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0965
N-(2,4-difluorophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-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

S471-0965

Molecular Formula

C17H15F5N4O (C17 H15 F5 N4 O)

Compound Name

N-(2,4-difluorophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

N-(24-difluorophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1ncnc(C(F)(F)F)c1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C17H15F5N4O/c18-11-1-2-13(12(19)7-11)25-16(27)10-3-5-26(6-4-10)15-8-14(17(20,21)22)23-9-24-15/h1-2,7-10H,3-6H2,(H,25,27)

InChI Key

KIIUXLQWDMOHNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.85

Polar Surface Area

45.358

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

S471-0965 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 S471-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0965?
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What is the minimum amount of S471-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0965
  • 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 S471-0965 available by request