F033-2912 Screening compound: N-[(4-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

F033-2912 Screening compound: N-[(4-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
F033-2912 Screening compound: N-[(4-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-2912
N-[(4-bromophenyl)methyl]-1-[(3-fluorophenyl)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

F033-2912

Molecular Formula

C20H20BrFN2O (C20 H20 BrFN2 O)

Compound Name

N-[(4-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

N-[(4-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1236-tetrahydropyridine-4-carboxamide

SMILES

O=C(C1=CCN(Cc2cc(F)ccc2)CC1)NCc(cc1)ccc1Br

InChI

InChI=1S/C20H20BrFN2O/c21-18-6-4-15(5-7-18)13-23-20(25)17-8-10-24(11-9-17)14-16-2-1-3-19(22)12-16/h1-8,12H,9-11,13-14H2,(H,23,25)

InChI Key

POEMDSJZUCNUGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

1.427

Water Solubility, LogSw

-4.28

Polar Surface Area

28.384

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with F033-2912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-2912?
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What is the minimum amount of F033-2912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-2912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-2912
  • 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 F033-2912 available by request