D011-5219 Screening compound: 3-methyl-N-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide

D011-5219 Screening compound: 3-methyl-N-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide
D011-5219 Screening compound: 3-methyl-N-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5219
3-methyl-N-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-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

D011-5219

Molecular Formula

C24H23N3O (C24 H23 N3 O)

Compound Name

3-methyl-N-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide

IUPAC name

3-methyl-N-({1-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)benzamide

SMILES

Cc1ccc(Cn2c(cccc3)c3nc2CNC(c2cc(C)ccc2)=O)cc1

InChI

InChI=1S/C24H23N3O/c1-17-10-12-19(13-11-17)16-27-22-9-4-3-8-21(22)26-23(27)15-25-24(28)20-7-5-6-18(2)14-20/h3-14H,15-16H2,1-2H3,(H,25,28)

InChI Key

VFKLWTZUUZTZSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07414087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.00

Polar Surface Area

35.557

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D011-5219 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D011-5219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5219?
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What is the minimum amount of D011-5219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5219
  • 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 D011-5219 available by request