S471-0534 Screening compound: 4-cyano-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

S471-0534 Screening compound: 4-cyano-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide
S471-0534 Screening compound: 4-cyano-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0534
4-cyano-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

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

S471-0534

Molecular Formula

C18H16F3N5O (C18 H16 F3 N5 O)

Compound Name

4-cyano-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

IUPAC name

4-cyano-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

SMILES

N#Cc(cc1)ccc1C(NC(CC1)CCN1c1cc(C(F)(F)F)ncn1)=O

InChI

InChI=1S/C18H16F3N5O/c19-18(20,21)15-9-16(24-11-23-15)26-7-5-14(6-8-26)25-17(27)13-3-1-12(10-22)2-4-13/h1-4,9,11,14H,5-8H2,(H,25,27)

InChI Key

ZYGNLADAIMJVLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-3.38

Polar Surface Area

63.967

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S471-0534 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S471-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0534?
Check Price and Availability of S471-0534, 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 S471-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0534
  • 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 S471-0534 available by request