Y080-1198 Screening compound: 3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propan-1-ol

Y080-1198 Screening compound: 3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propan-1-ol
Y080-1198 Screening compound: 3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1198
3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propan-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

Y080-1198

Molecular Formula

C11H14N2O2 (C11 H14 N2 O2)

Compound Name

3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propan-1-ol

IUPAC name

3-(5-methoxy-1H-13-benzodiazol-2-yl)propan-1-ol

SMILES

COc(cc1)cc2c1[nH]c(CCCO)n2

InChI

InChI=1S/C11H14N2O2/c1-15-8-4-5-9-10(7-8)13-11(12-9)3-2-6-14/h4-5,7,14H,2-3,6H2,1H3,(H,12,13)

InChI Key

WDXJZYHGTAUNED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03170138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

1.343

Water Solubility, LogSw

-1.88

Polar Surface Area

44.719

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y080-1198 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y080-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1198?
Check Price and Availability of Y080-1198, 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 Y080-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1198
  • 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 Y080-1198 available by request