D462-0546 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]acetamide

D462-0546 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]acetamide
D462-0546 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0546
2-(3,4-dimethoxyphenyl)-N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]acetamide

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

D462-0546

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

2-(3,4-dimethoxyphenyl)-N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]acetamide

IUPAC name

2-(34-dimethoxyphenyl)-N-[(34-dimethylphenyl)(pyridin-3-yl)methyl]acetamide

SMILES

Cc1c(C)cc(C(c2cnccc2)NC(Cc(cc2)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C24H26N2O3/c1-16-7-9-19(12-17(16)2)24(20-6-5-11-25-15-20)26-23(27)14-18-8-10-21(28-3)22(13-18)29-4/h5-13,15,24H,14H2,1-4H3,(H,26,27)/t24-/m0/s1

InChI Key

QNKKECHOEWHVIG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14830047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.55

Polar Surface Area

48.298

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D462-0546 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D462-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0546?
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What is the minimum amount of D462-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0546
  • 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 D462-0546 available by request