C066-5330 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-phenylpiperazine

C066-5330 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-phenylpiperazine
C066-5330 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5330
1-{1-[(4-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-phenylpiperazine

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

C066-5330

Molecular Formula

C23H26FN3O (C23 H26 FN3 O)

Compound Name

1-{1-[(4-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-phenylpiperazine

IUPAC name

1-{1-[(4-fluorophenyl)methyl]-1236-tetrahydropyridine-4-carbonyl}-4-phenylpiperazine

SMILES

O=C(C1=CCN(Cc(cc2)ccc2F)CC1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H26FN3O/c24-21-8-6-19(7-9-21)18-25-12-10-20(11-13-25)23(28)27-16-14-26(15-17-27)22-4-2-1-3-5-22/h1-10H,11-18H2

InChI Key

GHKPNYZBKQOPMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

-0.575

Water Solubility, LogSw

-3.41

Polar Surface Area

23.880

Acid Dissociation Constant (pKa)

28.36

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C066-5330 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C066-5330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5330?
Check Price and Availability of C066-5330, 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 C066-5330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5330
  • 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 C066-5330 available by request