D462-0107 Screening compound: 2-bromo-N-[(4-methylphenyl)(pyridin-3-yl)methyl]benzamide

D462-0107 Screening compound: 2-bromo-N-[(4-methylphenyl)(pyridin-3-yl)methyl]benzamide
D462-0107 Screening compound: 2-bromo-N-[(4-methylphenyl)(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0107
2-bromo-N-[(4-methylphenyl)(pyridin-3-yl)methyl]benzamide

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

D462-0107

Molecular Formula

C20H17BrN2O (C20 H17 BrN2 O)

Compound Name

2-bromo-N-[(4-methylphenyl)(pyridin-3-yl)methyl]benzamide

IUPAC name

2-bromo-N-[(4-methylphenyl)(pyridin-3-yl)methyl]benzamide

SMILES

Cc1ccc(C(c2cnccc2)NC(c(cccc2)c2Br)=O)cc1

InChI

InChI=1S/C20H17BrN2O/c1-14-8-10-15(11-9-14)19(16-5-4-12-22-13-16)23-20(24)17-6-2-3-7-18(17)21/h2-13,19H,1H3,(H,23,24)/t19-/m0/s1

InChI Key

XUVOAYATKDXEFT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14830017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.27

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

4.154

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.09

Polar Surface Area

33.250

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

D462-0107 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 D462-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0107?
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What is the minimum amount of D462-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0107
  • 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 D462-0107 available by request