Y080-1856 Screening compound: 2-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1-(3-methylbenzyl)-1H-1,3-benzimidazole

Y080-1856 Screening compound: 2-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1-(3-methylbenzyl)-1H-1,3-benzimidazole
Y080-1856 Screening compound: 2-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1-(3-methylbenzyl)-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1856
2-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1-(3-methylbenzyl)-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

Y080-1856

Molecular Formula

C24H22N2O (C24 H22 N2 O)

Compound Name

2-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1-(3-methylbenzyl)-1H-1,3-benzimidazole

IUPAC name

2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[(3-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1cccc(Cn2c(cccc3)c3nc2/C=C/c(cc2)ccc2OC)c1

InChI

InChI=1S/C24H22N2O/c1-18-6-5-7-20(16-18)17-26-23-9-4-3-8-22(23)25-24(26)15-12-19-10-13-21(27-2)14-11-19/h3-16H,17H2,1-2H3

InChI Key

TWVHYUUXFMHVOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

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

6.276

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-5.71

Polar Surface Area

18.415

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y080-1856 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1856?
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What is the minimum amount of Y080-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1856
  • 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 Y080-1856 available by request