8019-3253 Screening compound: 2-cyclohexyl-1-methyl-1H-1,3-benzodiazole

8019-3253 Screening compound: 2-cyclohexyl-1-methyl-1H-1,3-benzodiazole
8019-3253 Screening compound: 2-cyclohexyl-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3253
2-cyclohexyl-1-methyl-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

8019-3253

Molecular Formula

C14H18N2 (C14 H18 N2)

Compound Name

2-cyclohexyl-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-cyclohexyl-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(cccc2)c2nc1C1CCCCC1

InChI

InChI=1S/C14H18N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3

InChI Key

CPSWFAFTCAVDJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.94

Polar Surface Area

11.169

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8019-3253 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8019-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3253?
Check Price and Availability of 8019-3253, 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 8019-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3253
  • 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 8019-3253 available by request