Y080-1103 Screening compound: (1-butyl-1H-1,3-benzodiazol-2-yl)methanol

Y080-1103 Screening compound: (1-butyl-1H-1,3-benzodiazol-2-yl)methanol
Y080-1103 Screening compound: (1-butyl-1H-1,3-benzodiazol-2-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1103
(1-butyl-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

Y080-1103

Molecular Formula

C12H16N2O (C12 H16 N2 O)

Compound Name

(1-butyl-1H-1,3-benzodiazol-2-yl)methanol

IUPAC name

(1-butyl-1H-13-benzodiazol-2-yl)methanol

SMILES

CCCCn1c(cccc2)c2nc1CO

InChI

InChI=1S/C12H16N2O/c1-2-3-8-14-11-7-5-4-6-10(11)13-12(14)9-15/h4-7,15H,2-3,8-9H2,1H3

InChI Key

YKBVLHMDODYGIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.27

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

2.486

Distribution Coefficient, logD

2.485

Water Solubility, LogSw

-2.17

Polar Surface Area

28.508

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y080-1103 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y080-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1103?
Check Price and Availability of Y080-1103, 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 Y080-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1103
  • 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 Y080-1103 available by request