8014-1786 Screening compound: 2-{[4-(tert-butyl)phenoxy]methyl}-1-(2-methylallyl)-1H-1,3-benzimidazole

8014-1786 Screening compound: 2-{[4-(tert-butyl)phenoxy]methyl}-1-(2-methylallyl)-1H-1,3-benzimidazole
8014-1786 Screening compound: 2-{[4-(tert-butyl)phenoxy]methyl}-1-(2-methylallyl)-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1786
2-{[4-(tert-butyl)phenoxy]methyl}-1-(2-methylallyl)-1H-1,3-benzimidazole

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

8014-1786

Molecular Formula

C22H26N2O (C22 H26 N2 O)

Compound Name

2-{[4-(tert-butyl)phenoxy]methyl}-1-(2-methylallyl)-1H-1,3-benzimidazole

IUPAC name

2-[(4-tert-butylphenoxy)methyl]-1-(2-methylprop-2-en-1-yl)-1H-13-benzodiazole

SMILES

CC(C)(C)c(cc1)ccc1OCc1nc(cccc2)c2n1CC(C)=C

InChI

InChI=1S/C22H26N2O/c1-16(2)14-24-20-9-7-6-8-19(20)23-21(24)15-25-18-12-10-17(11-13-18)22(3,4)5/h6-13H,1,14-15H2,2-5H3

InChI Key

PLDGLSCJEDFVIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671379

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

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.383

Distribution Coefficient, logD

6.383

Water Solubility, LogSw

-5.86

Polar Surface Area

18.642

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with 8014-1786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1786?
Check Price and Availability of 8014-1786, 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 8014-1786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1786
  • 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 8014-1786 available by request