Y080-1130 Screening compound: 2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole

Y080-1130 Screening compound: 2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole
Y080-1130 Screening compound: 2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1130
2-[(4-methylphenoxy)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

Y080-1130

Molecular Formula

C15H14N2O (C15 H14 N2 O)

Compound Name

2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[(4-methylphenoxy)methyl]-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H14N2O/c1-11-6-8-12(9-7-11)18-10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)

InChI Key

NSQSYMQZJMZXRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02582711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.97

Polar Surface Area

27.748

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y080-1130 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y080-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1130?
Check Price and Availability of Y080-1130, 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 Y080-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1130
  • 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 Y080-1130 available by request