5891-0051 Screening compound: 1-(2-cyclohexylethyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

5891-0051 Screening compound: 1-(2-cyclohexylethyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole
5891-0051 Screening compound: 1-(2-cyclohexylethyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5891-0051
1-(2-cyclohexylethyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]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

5891-0051

Molecular Formula

C26H34N2O (C26 H34 N2 O)

Compound Name

1-(2-cyclohexylethyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

1-(2-cyclohexylethyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

CC(C)c(ccc(C)c1)c1OCc1nc(cccc2)c2n1CCC1CCCCC1

InChI

InChI=1S/C26H34N2O/c1-19(2)22-14-13-20(3)17-25(22)29-18-26-27-23-11-7-8-12-24(23)28(26)16-15-21-9-5-4-6-10-21/h7-8,11-14,17,19,21H,4-6,9-10,15-16,18H2,1-3H3

InChI Key

UPWVNXFUVZHGJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03668888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.897

Distribution Coefficient, logD

7.897

Water Solubility, LogSw

-5.79

Polar Surface Area

18.628

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5891-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5891-0051?
Check Price and Availability of 5891-0051, 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 5891-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5891-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5891-0051
  • 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 5891-0051 available by request