3864-0704 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide

3864-0704 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide
3864-0704 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3864-0704
N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide

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

3864-0704

Molecular Formula

C21H15Cl2N3O2 (C21 H15 Cl2 N3 O2)

Compound Name

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

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)phenyl]-35-dichloro-4-methoxybenzamide

SMILES

COc(c(Cl)cc(C(Nc1cc(-c2nc(cccc3)c3[nH]2)ccc1)=O)c1)c1Cl

InChI

InChI=1S/C21H15Cl2N3O2/c1-28-19-15(22)10-13(11-16(19)23)21(27)24-14-6-4-5-12(9-14)20-25-17-7-2-3-8-18(17)26-20/h2-11H,1H3,(H,24,27)(H,25,26)

InChI Key

HLZGMQUQFUAEIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03704045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

6.023

Water Solubility, LogSw

-6.20

Polar Surface Area

50.066

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3864-0704 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3864-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3864-0704?
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What is the minimum amount of 3864-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3864-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3864-0704
  • 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 3864-0704 available by request