S471-0945 Screening compound: N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

S471-0945 Screening compound: N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
S471-0945 Screening compound: N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0945
N-(2,5-dimethoxyphenyl)-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

S471-0945

Molecular Formula

C19H21F3N4O3 (C19 H21 F3 N4 O3)

Compound Name

N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

COc(cc1)cc(NC(C(CC2)CCN2c2cc(C(F)(F)F)ncn2)=O)c1OC

InChI

InChI=1S/C19H21F3N4O3/c1-28-13-3-4-15(29-2)14(9-13)25-18(27)12-5-7-26(8-6-12)17-10-16(19(20,21)22)23-11-24-17/h3-4,9-12H,5-8H2,1-2H3,(H,25,27)

InChI Key

CSUJAFKBYZAOSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.63

Polar Surface Area

60.532

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S471-0945 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 S471-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0945?
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What is the minimum amount of S471-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0945
  • 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 S471-0945 available by request