F033-1779 Screening compound: N-[(3-bromophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

F033-1779 Screening compound: N-[(3-bromophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
F033-1779 Screening compound: N-[(3-bromophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-1779
N-[(3-bromophenyl)methyl]-1-[(3-methoxyphenyl)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

F033-1779

Molecular Formula

C21H23BrN2O2 (C21 H23 BrN2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(CC2)CC=C2C(NCc2cccc(Br)c2)=O)c1

InChI

InChI=1S/C21H23BrN2O2/c1-26-20-7-3-5-17(13-20)15-24-10-8-18(9-11-24)21(25)23-14-16-4-2-6-19(22)12-16/h2-8,12-13H,9-11,14-15H2,1H3,(H,23,25)

InChI Key

YTQUUKKLRZJFSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

-0.429

Water Solubility, LogSw

-4.23

Polar Surface Area

35.928

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F033-1779 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with F033-1779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-1779?
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What is the minimum amount of F033-1779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-1779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-1779
  • 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 F033-1779 available by request