D462-0570 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3-methoxybenzamide

D462-0570 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3-methoxybenzamide
D462-0570 Screening compound: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0570
N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-3-methoxybenzamide

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

D462-0570

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(c2cnccc2)NC(c2cc(OC)ccc2)=O)c(C)cc1

InChI

InChI=1S/C22H22N2O2/c1-15-9-10-16(2)20(12-15)21(18-7-5-11-23-14-18)24-22(25)17-6-4-8-19(13-17)26-3/h4-14,21H,1-3H3,(H,24,25)/t21-/m0/s1

InChI Key

CHMPQPQGUPCFKP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14830053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.07

Polar Surface Area

40.794

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D462-0570 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D462-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0570?
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What is the minimum amount of D462-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0570
  • 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 D462-0570 available by request