F033-0010 Screening compound: 1-(3-chlorophenyl)-4-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}piperazine

F033-0010 Screening compound: 1-(3-chlorophenyl)-4-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}piperazine
F033-0010 Screening compound: 1-(3-chlorophenyl)-4-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-0010
1-(3-chlorophenyl)-4-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}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

F033-0010

Molecular Formula

C23H25ClFN3O (C23 H25 ClFN3 O)

Compound Name

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

IUPAC name

1-(3-chlorophenyl)-4-{1-[(2-fluorophenyl)methyl]-1236-tetrahydropyridine-4-carbonyl}piperazine

SMILES

O=C(C1=CCN(Cc(cccc2)c2F)CC1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C23H25ClFN3O/c24-20-5-3-6-21(16-20)27-12-14-28(15-13-27)23(29)18-8-10-26(11-9-18)17-19-4-1-2-7-22(19)25/h1-8,16H,9-15,17H2

InChI Key

RTSQGHSMMUXBGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.92

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

4.407

Distribution Coefficient, logD

0.274

Water Solubility, LogSw

-4.53

Polar Surface Area

23.880

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F033-0010 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F033-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-0010?
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What is the minimum amount of F033-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-0010
  • 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 F033-0010 available by request