C162-0165 Screening compound: 1-benzyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine

C162-0165 Screening compound: 1-benzyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine
C162-0165 Screening compound: 1-benzyl-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0165
1-benzyl-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

C162-0165

Molecular Formula

C21H25F3N4 (C21 H25 F3 N4)

Compound Name

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

IUPAC name

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

SMILES

FC(c1nc(N2CCN(Cc3ccccc3)CC2)nc2c1CCCCC2)(F)F

InChI

InChI=1S/C21H25F3N4/c22-21(23,24)19-17-9-5-2-6-10-18(17)25-20(26-19)28-13-11-27(12-14-28)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2

InChI Key

PUPIFKLKOMVPNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-5.28

Polar Surface Area

27.252

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C162-0165 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C162-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0165?
Check Price and Availability of C162-0165, 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 C162-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0165
  • 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 C162-0165 available by request