C162-0166 Screening compound: 1-phenyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine

C162-0166 Screening compound: 1-phenyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine
C162-0166 Screening compound: 1-phenyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0166
1-phenyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine

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

C162-0166

Molecular Formula

C20H23F3N4 (C20 H23 F3 N4)

Compound Name

1-phenyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine

IUPAC name

1-phenyl-4-[4-(trifluoromethyl)-5H6H7H8H9H-cyclohepta[d]pyrimidin-2-yl]piperazine

SMILES

FC(c1nc(N(CC2)CCN2c2ccccc2)nc2c1CCCCC2)(F)F

InChI

InChI=1S/C20H23F3N4/c21-20(22,23)18-16-9-5-2-6-10-17(16)24-19(25-18)27-13-11-26(12-14-27)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2

InChI Key

HVFLOMYHLCXUCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-5.81

Polar Surface Area

26.972

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C162-0166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C162-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0166?
Check Price and Availability of C162-0166, 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 C162-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0166
  • 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 C162-0166 available by request