4130-6146 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-1H-1,3-benzodiazole

4130-6146 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-1H-1,3-benzodiazole
4130-6146 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-6146
1-(5-chloro-2-methoxybenzoyl)-1H-1,3-benzodiazole

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

4130-6146

Molecular Formula

C15H11ClN2O2 (C15 H11 ClN2 O2)

Compound Name

1-(5-chloro-2-methoxybenzoyl)-1H-1,3-benzodiazole

IUPAC name

1-(5-chloro-2-methoxybenzoyl)-1H-13-benzodiazole

SMILES

COc(ccc(Cl)c1)c1C(n1c(cccc2)c2nc1)=O

InChI

InChI=1S/C15H11ClN2O2/c1-20-14-7-6-10(16)8-11(14)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,1H3

InChI Key

GOANEJUYIDYXTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02218213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.36

Polar Surface Area

31.709

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4130-6146 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 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
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4130-6146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-6146?
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What is the minimum amount of 4130-6146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-6146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-6146
  • 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 4130-6146 available by request