Y080-1358 Screening compound: 2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazole

Y080-1358 Screening compound: 2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazole
Y080-1358 Screening compound: 2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1358
2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(3-methylphenoxy)ethyl]-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

Y080-1358

Molecular Formula

C25H24N2O2 (C25 H24 N2 O2)

Compound Name

2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazole

IUPAC name

2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazole

SMILES

Cc1cccc(OCCn2c(cccc3)c3nc2/C=C/c(cc2)ccc2OC)c1

InChI

InChI=1S/C25H24N2O2/c1-19-6-5-7-22(18-19)29-17-16-27-24-9-4-3-8-23(24)26-25(27)15-12-20-10-13-21(28-2)14-11-20/h3-15,18H,16-17H2,1-2H3

InChI Key

YZRYAUAZLJQJIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.363

Distribution Coefficient, logD

6.363

Water Solubility, LogSw

-5.76

Polar Surface Area

25.812

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

Y080-1358 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 Y080-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1358?
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What is the minimum amount of Y080-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1358
  • 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 Y080-1358 available by request