L454-0071 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-(3-methylphenyl)nicotinamide

L454-0071 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-(3-methylphenyl)nicotinamide
L454-0071 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-(3-methylphenyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L454-0071
N-(3-chloro-4-methoxyphenyl)-6-(3-methylphenyl)nicotinamide

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

L454-0071

Molecular Formula

C20H17ClN2O2 (C20 H17 ClN2 O2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-6-(3-methylphenyl)nicotinamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-6-(3-methylphenyl)pyridine-3-carboxamide

SMILES

Cc1cccc(-c(cc2)ncc2C(Nc(cc2)cc(Cl)c2OC)=O)c1

InChI

InChI=1S/C20H17ClN2O2/c1-13-4-3-5-14(10-13)18-8-6-15(12-22-18)20(24)23-16-7-9-19(25-2)17(21)11-16/h3-12H,1-2H3,(H,23,24)

InChI Key

BXESSRTXUCOZKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-5.21

Polar Surface Area

39.826

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

L454-0071 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L454-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L454-0071?
Check Price and Availability of L454-0071, 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 L454-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L454-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L454-0071
  • 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 L454-0071 available by request