5042-0234 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2,6-dimethoxybenzamide

5042-0234 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2,6-dimethoxybenzamide
5042-0234 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0234
N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2,6-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

5042-0234

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2,6-dimethoxybenzamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)phenyl]-26-dimethoxybenzamide

SMILES

COc1cccc(OC)c1C(Nc1cc(-c2nc(cccc3)c3[nH]2)ccc1)=O

InChI

InChI=1S/C22H19N3O3/c1-27-18-11-6-12-19(28-2)20(18)22(26)23-15-8-5-7-14(13-15)21-24-16-9-3-4-10-17(16)25-21/h3-13H,1-2H3,(H,23,26)(H,24,25)

InChI Key

MHTZRJHAAWIGTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.66

Polar Surface Area

57.610

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5042-0234 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 5042-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0234?
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What is the minimum amount of 5042-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0234
  • 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 5042-0234 available by request