F033-0006 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-(2-methoxyphenyl)piperazine

F033-0006 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-(2-methoxyphenyl)piperazine
F033-0006 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-0006
1-{1-[(2-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carbonyl}-4-(2-methoxyphenyl)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

F033-0006

Molecular Formula

C24H28FN3O2 (C24 H28 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N(CC1)CCN1C(C1=CCN(Cc(cccc2)c2F)CC1)=O

InChI

InChI=1S/C24H28FN3O2/c1-30-23-9-5-4-8-22(23)27-14-16-28(17-15-27)24(29)19-10-12-26(13-11-19)18-20-6-2-3-7-21(20)25/h2-10H,11-18H2,1H3

InChI Key

LYKAUUUSCCVGJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

-0.309

Water Solubility, LogSw

-3.95

Polar Surface Area

31.209

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F033-0006 in Drug Discovery

Included in Screening Libraries

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

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 F033-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-0006?
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What is the minimum amount of F033-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-0006
  • 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 F033-0006 available by request