Y080-0425 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole

Y080-0425 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole
Y080-0425 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0425
2-[(4-tert-butylphenoxy)methyl]-1-[(3-methylphenyl)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

Y080-0425

Molecular Formula

C26H28N2O (C26 H28 N2 O)

Compound Name

2-[(4-tert-butylphenoxy)methyl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[(4-tert-butylphenoxy)methyl]-1-[(3-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

CC(C)(C)c(cc1)ccc1OCc1nc(cccc2)c2n1Cc1cc(C)ccc1

InChI

InChI=1S/C26H28N2O/c1-19-8-7-9-20(16-19)17-28-24-11-6-5-10-23(24)27-25(28)18-29-22-14-12-21(13-15-22)26(2,3)4/h5-16H,17-18H2,1-4H3

InChI Key

BLHZEEDMSHSFLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670895

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

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.403

Distribution Coefficient, logD

7.403

Water Solubility, LogSw

-5.88

Polar Surface Area

18.371

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

Y080-0425 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 Y080-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0425?
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What is the minimum amount of Y080-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0425
  • 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 Y080-0425 available by request