3800-1228 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-diethoxybenzamide

3800-1228 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-diethoxybenzamide
3800-1228 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3800-1228
N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-diethoxybenzamide

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

3800-1228

Molecular Formula

C24H23N3O3 (C24 H23 N3 O3)

Compound Name

N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-diethoxybenzamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)phenyl]-35-diethoxybenzamide

SMILES

CCOc1cc(C(Nc2cc(-c3nc(cccc4)c4[nH]3)ccc2)=O)cc(OCC)c1

InChI

InChI=1S/C24H23N3O3/c1-3-29-19-13-17(14-20(15-19)30-4-2)24(28)25-18-9-7-8-16(12-18)23-26-21-10-5-6-11-22(21)27-23/h5-15H,3-4H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

ZZKVQYACFSFRNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02812340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.721

Water Solubility, LogSw

-5.42

Polar Surface Area

56.596

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3800-1228 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 3800-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3800-1228?
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What is the minimum amount of 3800-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3800-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3800-1228
  • 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 3800-1228 available by request