5267-0115 Screening compound: 1-benzyl-2-[(2-methoxyphenoxy)methyl]-1H-1,3-benzodiazole

5267-0115 Screening compound: 1-benzyl-2-[(2-methoxyphenoxy)methyl]-1H-1,3-benzodiazole
5267-0115 Screening compound: 1-benzyl-2-[(2-methoxyphenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-0115
1-benzyl-2-[(2-methoxyphenoxy)methyl]-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

5267-0115

Molecular Formula

C22H20N2O2 (C22 H20 N2 O2)

Compound Name

1-benzyl-2-[(2-methoxyphenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

1-benzyl-2-[(2-methoxyphenoxy)methyl]-1H-13-benzodiazole

SMILES

COc(cccc1)c1OCc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C22H20N2O2/c1-25-20-13-7-8-14-21(20)26-16-22-23-18-11-5-6-12-19(18)24(22)15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3

InChI Key

REHHWBWTFZUYTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.709

Distribution Coefficient, logD

4.709

Water Solubility, LogSw

-4.59

Polar Surface Area

26.088

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5267-0115 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5267-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-0115?
Check Price and Availability of 5267-0115, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5267-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-0115
  • 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 5267-0115 available by request