D462-0568 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-4-methylbenzamide

D462-0568 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-4-methylbenzamide
D462-0568 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0568
N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-4-methylbenzamide

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

D462-0568

Molecular Formula

C22H22N2O (C22 H22 N2 O)

Compound Name

N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-4-methylbenzamide

IUPAC name

N-[(25-dimethylphenyl)(pyridin-3-yl)methyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NC(c1cnccc1)c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C22H22N2O/c1-15-7-10-18(11-8-15)22(25)24-21(19-5-4-12-23-14-19)20-13-16(2)6-9-17(20)3/h4-14,21H,1-3H3,(H,24,25)/t21-/m0/s1

InChI Key

LOSVBFIMSIGUTO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14830052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

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

4.582

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.02

Polar Surface Area

33.250

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D462-0568 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D462-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0568?
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What is the minimum amount of D462-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0568
  • 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 D462-0568 available by request