1682-9516 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-N-(3,5-dimethylphenyl)benzamide

1682-9516 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-N-(3,5-dimethylphenyl)benzamide
1682-9516 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-N-(3,5-dimethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9516
2-(1H-1,3-benzodiazol-2-yl)-N-(3,5-dimethylphenyl)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

1682-9516

Molecular Formula

C22H19N3O (C22 H19 N3 O)

Compound Name

2-(1H-1,3-benzodiazol-2-yl)-N-(3,5-dimethylphenyl)benzamide

IUPAC name

2-(1H-13-benzodiazol-2-yl)-N-(35-dimethylphenyl)benzamide

SMILES

Cc1cc(NC(c(cccc2)c2-c2nc(cccc3)c3[nH]2)=O)cc(C)c1

InChI

InChI=1S/C22H19N3O/c1-14-11-15(2)13-16(12-14)23-22(26)18-8-4-3-7-17(18)21-24-19-9-5-6-10-20(19)25-21/h3-13H,1-2H3,(H,23,26)(H,24,25)

InChI Key

NGMJJGDIBMUKHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00710823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.47

Polar Surface Area

42.349

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1682-9516 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 1682-9516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9516?
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What is the minimum amount of 1682-9516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9516
  • 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 1682-9516 available by request