F033-2609 Screening compound: 1-[(4-fluorophenyl)methyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,6-tetrahydropyridine-4-carboxamide

F033-2609 Screening compound: 1-[(4-fluorophenyl)methyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,6-tetrahydropyridine-4-carboxamide
F033-2609 Screening compound: 1-[(4-fluorophenyl)methyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-2609
1-[(4-fluorophenyl)methyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,6-tetrahydropyridine-4-carboxamide

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

F033-2609

Molecular Formula

C21H20F4N2O (C21 H20 F4 N2 O)

Compound Name

1-[(4-fluorophenyl)methyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

1-[(4-fluorophenyl)methyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-1236-tetrahydropyridine-4-carboxamide

SMILES

O=C(C1=CCN(Cc(cc2)ccc2F)CC1)NCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C21H20F4N2O/c22-18-7-5-15(6-8-18)14-27-11-9-16(10-12-27)20(28)26-13-17-3-1-2-4-19(17)21(23,24)25/h1-9H,10-14H2,(H,26,28)

InChI Key

ARPARWJUOFMNIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-4.34

Polar Surface Area

28.384

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F033-2609 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 F033-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-2609?
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What is the minimum amount of F033-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-2609
  • 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 F033-2609 available by request