Y080-1782 Screening compound: 2-{[4-(tert-butyl)phenoxy]methyl}-1-phenethyl-1H-1,3-benzimidazole

Y080-1782 Screening compound: 2-{[4-(tert-butyl)phenoxy]methyl}-1-phenethyl-1H-1,3-benzimidazole
Y080-1782 Screening compound: 2-{[4-(tert-butyl)phenoxy]methyl}-1-phenethyl-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1782
2-{[4-(tert-butyl)phenoxy]methyl}-1-phenethyl-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

Y080-1782

Molecular Formula

C26H28N2O (C26 H28 N2 O)

Compound Name

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

IUPAC name

2-[(4-tert-butylphenoxy)methyl]-1-(2-phenylethyl)-1H-13-benzodiazole

SMILES

CC(C)(C)c(cc1)ccc1OCc1nc(cccc2)c2n1CCc1ccccc1

InChI

InChI=1S/C26H28N2O/c1-26(2,3)21-13-15-22(16-14-21)29-19-25-27-23-11-7-8-12-24(23)28(25)18-17-20-9-5-4-6-10-20/h4-16H,17-19H2,1-3H3

InChI Key

TZCBBERFOKQSMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03672587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

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

6.906

Distribution Coefficient, logD

6.906

Water Solubility, LogSw

-6.01

Polar Surface Area

18.349

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

Y080-1782 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-1782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1782?
Check Price and Availability of Y080-1782, 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 Y080-1782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1782
  • 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 Y080-1782 available by request