Y080-0036 Screening compound: 2-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

Y080-0036 Screening compound: 2-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol
Y080-0036 Screening compound: 2-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0036
2-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

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

Y080-0036

Molecular Formula

C17H18N2O (C17 H18 N2 O)

Compound Name

2-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

IUPAC name

2-{1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethan-1-ol

SMILES

Cc1cccc(Cn2c(cccc3)c3nc2CCO)c1

InChI

InChI=1S/C17H18N2O/c1-13-5-4-6-14(11-13)12-19-16-8-3-2-7-15(16)18-17(19)9-10-20/h2-8,11,20H,9-10,12H2,1H3

InChI Key

JHFBMBSIYAGOFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08833324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.28

Polar Surface Area

27.799

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y080-0036 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with Y080-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0036?
Check Price and Availability of Y080-0036, 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 Y080-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0036
  • 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 Y080-0036 available by request