D462-0119 Screening compound: N-[(4-methylphenyl)(pyridin-3-yl)methyl]cyclohexanecarboxamide

D462-0119 Screening compound: N-[(4-methylphenyl)(pyridin-3-yl)methyl]cyclohexanecarboxamide
D462-0119 Screening compound: N-[(4-methylphenyl)(pyridin-3-yl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0119
N-[(4-methylphenyl)(pyridin-3-yl)methyl]cyclohexanecarboxamide

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

D462-0119

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

N-[(4-methylphenyl)(pyridin-3-yl)methyl]cyclohexanecarboxamide

IUPAC name

N-[(4-methylphenyl)(pyridin-3-yl)methyl]cyclohexanecarboxamide

SMILES

Cc1ccc(C(c2cnccc2)NC(C2CCCCC2)=O)cc1

InChI

InChI=1S/C20H24N2O/c1-15-9-11-16(12-10-15)19(18-8-5-13-21-14-18)22-20(23)17-6-3-2-4-7-17/h5,8-14,17,19H,2-4,6-7H2,1H3,(H,22,23)/t19-/m0/s1

InChI Key

ZIFACRVCLJUOTP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14830022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

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

3.752

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-3.63

Polar Surface Area

33.442

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D462-0119 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D462-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0119?
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What is the minimum amount of D462-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0119
  • 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 D462-0119 available by request