S471-0564 Screening compound: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide

S471-0564 Screening compound: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide
S471-0564 Screening compound: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0564
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide

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

S471-0564

Molecular Formula

C18H25F3N4O (C18 H25 F3 N4 O)

Compound Name

N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide

IUPAC name

N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide

SMILES

Cc1nc(N(CC2)CCC2NC(C2CCCCC2)=O)cc(C(F)(F)F)n1

InChI

InChI=1S/C18H25F3N4O/c1-12-22-15(18(19,20)21)11-16(23-12)25-9-7-14(8-10-25)24-17(26)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H,24,26)

InChI Key

GZMGGQQHMYSGFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.42

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

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-3.82

Polar Surface Area

45.477

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

S471-0564 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S471-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0564?
Check Price and Availability of S471-0564, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S471-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0564
  • 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 S471-0564 available by request