5786-2056 Screening compound: 1-(2-cyclohexylethyl)-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

5786-2056 Screening compound: 1-(2-cyclohexylethyl)-2-(4-methoxyphenyl)-1H-1,3-benzodiazole
5786-2056 Screening compound: 1-(2-cyclohexylethyl)-2-(4-methoxyphenyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-2056
1-(2-cyclohexylethyl)-2-(4-methoxyphenyl)-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

5786-2056

Molecular Formula

C22H26N2O (C22 H26 N2 O)

Compound Name

1-(2-cyclohexylethyl)-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

IUPAC name

1-(2-cyclohexylethyl)-2-(4-methoxyphenyl)-1H-13-benzodiazole

SMILES

COc(cc1)ccc1-c1nc(cccc2)c2n1CCC1CCCCC1

InChI

InChI=1S/C22H26N2O/c1-25-19-13-11-18(12-14-19)22-23-20-9-5-6-10-21(20)24(22)16-15-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3

InChI Key

BSPGOCGPZLVSJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.578

Distribution Coefficient, logD

6.578

Water Solubility, LogSw

-5.95

Polar Surface Area

17.610

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

5786-2056 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 5786-2056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-2056?
Check Price and Availability of 5786-2056, 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 5786-2056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-2056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-2056
  • 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 5786-2056 available by request