D462-0594 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3,5-dimethoxybenzamide

D462-0594 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3,5-dimethoxybenzamide
D462-0594 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0594
N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3,5-dimethoxybenzamide

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

D462-0594

Molecular Formula

C23H24N2O3 (C23 H24 N2 O3)

Compound Name

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

IUPAC name

N-[(25-dimethylphenyl)(pyridin-3-yl)methyl]-35-dimethoxybenzamide

SMILES

Cc1cc(C(c2cnccc2)NC(c2cc(OC)cc(OC)c2)=O)c(C)cc1

InChI

InChI=1S/C23H24N2O3/c1-15-7-8-16(2)21(10-15)22(17-6-5-9-24-14-17)25-23(26)18-11-19(27-3)13-20(12-18)28-4/h5-14,22H,1-4H3,(H,25,26)/t22-/m0/s1

InChI Key

CCDBSIULZBJMTP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14830064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-3.99

Polar Surface Area

48.338

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D462-0594 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D462-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0594?
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What is the minimum amount of D462-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0594
  • 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 D462-0594 available by request