Y080-1095 Screening compound: 1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]methanamine

Y080-1095 Screening compound: 1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]methanamine
Y080-1095 Screening compound: 1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1095
1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]methanamine

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

Y080-1095

Molecular Formula

C12H17N3 (C12 H17 N3)

Compound Name

1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]methanamine

IUPAC name

1-[1-(2-methylpropyl)-1H-13-benzodiazol-2-yl]methanamine

SMILES

CC(C)Cn1c(cccc2)c2nc1CN

InChI

InChI=1S/C12H17N3/c1-9(2)8-15-11-6-4-3-5-10(11)14-12(15)7-13/h3-6,9H,7-8,13H2,1-2H3

InChI Key

PGHUMDTVWDGGRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11595143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

0.311

Water Solubility, LogSw

-1.58

Polar Surface Area

33.075

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y080-1095 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 Y080-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1095?
Check Price and Availability of Y080-1095, 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 Y080-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1095
  • 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 Y080-1095 available by request