S471-0684 Screening compound: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide

S471-0684 Screening compound: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide
S471-0684 Screening compound: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0684
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide

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

S471-0684

Molecular Formula

C16H21F3N4O (C16 H21 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N(CC2)CCC2NC(C2CCC2)=O)cc(C(F)(F)F)n1

InChI

InChI=1S/C16H21F3N4O/c1-10-20-13(16(17,18)19)9-14(21-10)23-7-5-12(6-8-23)22-15(24)11-3-2-4-11/h9,11-12H,2-8H2,1H3,(H,22,24)

InChI Key

IDBXTWZCHPAENJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

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

2.336

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.59

Polar Surface Area

45.808

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

S471-0684 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S471-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0684?
Check Price and Availability of S471-0684, 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 S471-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0684
  • 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 S471-0684 available by request