5786-0830 Screening compound: 2-(methoxymethyl)-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole

5786-0830 Screening compound: 2-(methoxymethyl)-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole
5786-0830 Screening compound: 2-(methoxymethyl)-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-0830
2-(methoxymethyl)-1-[(2-methylphenyl)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

5786-0830

Molecular Formula

C17H18N2O (C17 H18 N2 O)

Compound Name

2-(methoxymethyl)-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-(methoxymethyl)-1-[(2-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1c(Cn2c(cccc3)c3nc2COC)cccc1

InChI

InChI=1S/C17H18N2O/c1-13-7-3-4-8-14(13)11-19-16-10-6-5-9-15(16)18-17(19)12-20-2/h3-10H,11-12H2,1-2H3

InChI Key

NJZYEGJDMLYEAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.20

Polar Surface Area

19.567

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5786-0830 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5786-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-0830?
Check Price and Availability of 5786-0830, 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 5786-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-0830
  • 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 5786-0830 available by request