3952-2345 Screening compound: N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-ethoxybenzamide

3952-2345 Screening compound: N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-ethoxybenzamide
3952-2345 Screening compound: N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-2345
N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-ethoxybenzamide

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

3952-2345

Molecular Formula

C29H23N3O3 (C29 H23 N3 O3)

Compound Name

N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-ethoxybenzamide

IUPAC name

N-[4-(5-benzoyl-1H-13-benzodiazol-2-yl)phenyl]-3-ethoxybenzamide

SMILES

CCOc1cccc(C(Nc(cc2)ccc2-c2nc(cc(cc3)C(c4ccccc4)=O)c3[nH]2)=O)c1

InChI

InChI=1S/C29H23N3O3/c1-2-35-24-10-6-9-22(17-24)29(34)30-23-14-11-20(12-15-23)28-31-25-16-13-21(18-26(25)32-28)27(33)19-7-4-3-5-8-19/h3-18H,2H2,1H3,(H,30,34)(H,31,32)

InChI Key

GVKDJSIKAQGWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.111

Distribution Coefficient, logD

6.111

Water Solubility, LogSw

-5.50

Polar Surface Area

62.940

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3952-2345 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3952-2345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-2345?
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What is the minimum amount of 3952-2345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-2345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-2345
  • 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 3952-2345 available by request