F033-1110 Screening compound: N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

F033-1110 Screening compound: N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
F033-1110 Screening compound: N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-1110
N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)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

F033-1110

Molecular Formula

C21H23ClN2O (C21 H23 ClN2 O)

Compound Name

N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methyl]-1236-tetrahydropyridine-4-carboxamide

SMILES

Cc1cccc(CN(CC2)CC=C2C(Nc2cccc(Cl)c2C)=O)c1

InChI

InChI=1S/C21H23ClN2O/c1-15-5-3-6-17(13-15)14-24-11-9-18(10-12-24)21(25)23-20-8-4-7-19(22)16(20)2/h3-9,13H,10-12,14H2,1-2H3,(H,23,25)

InChI Key

FQSJZHAAFXWUOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-5.74

Polar Surface Area

26.364

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F033-1110 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F033-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-1110?
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What is the minimum amount of F033-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-1110
  • 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 F033-1110 available by request