3952-0736 Screening compound: N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-propoxybenzamide

3952-0736 Screening compound: N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-propoxybenzamide
3952-0736 Screening compound: N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0736
N-[4-(5-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-propoxybenzamide

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

3952-0736

Molecular Formula

C30H25N3O3 (C30 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1cccc(C(Nc(cc2)ccc2-c2nc(cc(cc3)C(c4ccccc4)=O)c3[nH]2)=O)c1

InChI

InChI=1S/C30H25N3O3/c1-2-17-36-25-10-6-9-23(18-25)30(35)31-24-14-11-21(12-15-24)29-32-26-16-13-22(19-27(26)33-29)28(34)20-7-4-3-5-8-20/h3-16,18-19H,2,17H2,1H3,(H,31,35)(H,32,33)

InChI Key

ORGBQOFMSQGKAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.701

Water Solubility, LogSw

-5.69

Polar Surface Area

63.234

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3952-0736 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3952-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0736?
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What is the minimum amount of 3952-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0736
  • 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 3952-0736 available by request