F033-1357 Screening compound: 1-benzyl-N-[(2-bromophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

F033-1357 Screening compound: 1-benzyl-N-[(2-bromophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
F033-1357 Screening compound: 1-benzyl-N-[(2-bromophenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-1357
1-benzyl-N-[(2-bromophenyl)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

F033-1357

Molecular Formula

C20H21BrN2O (C20 H21 BrN2 O)

Compound Name

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

IUPAC name

1-benzyl-N-[(2-bromophenyl)methyl]-1236-tetrahydropyridine-4-carboxamide

SMILES

O=C(C1=CCN(Cc2ccccc2)CC1)NCc(cccc1)c1Br

InChI

InChI=1S/C20H21BrN2O/c21-19-9-5-4-8-18(19)14-22-20(24)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-10H,11-15H2,(H,22,24)

InChI Key

SWWSTZZLHXHGLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.3

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

4.178

Distribution Coefficient, logD

1.081

Water Solubility, LogSw

-4.21

Polar Surface Area

28.384

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F033-1357 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F033-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-1357?
Check Price and Availability of F033-1357, 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 F033-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-1357
  • 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 F033-1357 available by request