D462-0582 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]propanamide

D462-0582 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]propanamide
D462-0582 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0582
N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]propanamide

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

D462-0582

Molecular Formula

C17H20N2O (C17 H20 N2 O)

Compound Name

N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]propanamide

IUPAC name

N-[(25-dimethylphenyl)(pyridin-3-yl)methyl]propanamide

SMILES

CCC(NC(c1cnccc1)c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C17H20N2O/c1-4-16(20)19-17(14-6-5-9-18-11-14)15-10-12(2)7-8-13(15)3/h5-11,17H,4H2,1-3H3,(H,19,20)/t17-/m0/s1

InChI Key

RKXDVAIYOLPHAO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14830059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.36

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

3.011

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-2.72

Polar Surface Area

33.308

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D462-0582 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D462-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0582?
Check Price and Availability of D462-0582, 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 D462-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0582
  • 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 D462-0582 available by request