Y080-0095 Screening compound: 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole

Y080-0095 Screening compound: 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole
Y080-0095 Screening compound: 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0095
5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole

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

Y080-0095

Molecular Formula

C13H18N2 (C13 H18 N2)

Compound Name

5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole

IUPAC name

56-dimethyl-1-(2-methylpropyl)-1H-13-benzodiazole

SMILES

CC(C)Cn1c(cc(C)c(C)c2)c2nc1

InChI

InChI=1S/C13H18N2/c1-9(2)7-15-8-14-12-5-10(3)11(4)6-13(12)15/h5-6,8-9H,7H2,1-4H3

InChI Key

AWAHGNMRURYVPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04213974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.72

Polar Surface Area

10.695

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

Y080-0095 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y080-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0095?
Check Price and Availability of Y080-0095, 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 Y080-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0095
  • 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 Y080-0095 available by request