Y080-1210 Screening compound: {1-[2-(3,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol

Y080-1210 Screening compound: {1-[2-(3,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol
Y080-1210 Screening compound: {1-[2-(3,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1210
{1-[2-(3,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol

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

Y080-1210

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

{1-[2-(3,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol

IUPAC name

{1-[2-(35-dimethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}methanol

SMILES

Cc1cc(OCCn2c(cccc3)c3nc2CO)cc(C)c1

InChI

InChI=1S/C18H20N2O2/c1-13-9-14(2)11-15(10-13)22-8-7-20-17-6-4-3-5-16(17)19-18(20)12-21/h3-6,9-11,21H,7-8,12H2,1-2H3

InChI Key

WVPBSKXPQUQISJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-3.93

Polar Surface Area

35.655

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y080-1210 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y080-1210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1210?
Check Price and Availability of Y080-1210, 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 Y080-1210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1210
  • 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 Y080-1210 available by request