C162-0173 Screening compound: 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine

C162-0173 Screening compound: 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine
C162-0173 Screening compound: 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0173
1-(4-fluorophenyl)-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

C162-0173

Molecular Formula

C20H22F4N4 (C20 H22 F4 N4)

Compound Name

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

IUPAC name

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

SMILES

FC(c1c(CCCCC2)c2nc(N(CC2)CCN2c(cc2)ccc2F)n1)(F)F

InChI

InChI=1S/C20H22F4N4/c21-14-6-8-15(9-7-14)27-10-12-28(13-11-27)19-25-17-5-3-1-2-4-16(17)18(26-19)20(22,23)24/h6-9H,1-5,10-13H2

InChI Key

CRUPIZMUXHOJNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

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

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.88

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

C162-0173 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C162-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0173?
Check Price and Availability of C162-0173, 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 C162-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0173
  • 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 C162-0173 available by request