8581-0098 Screening compound: 1-(2-cyclohexylethyl)-2-(propan-2-yl)-1H-1,3-benzodiazole

8581-0098 Screening compound: 1-(2-cyclohexylethyl)-2-(propan-2-yl)-1H-1,3-benzodiazole
8581-0098 Screening compound: 1-(2-cyclohexylethyl)-2-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8581-0098
1-(2-cyclohexylethyl)-2-(propan-2-yl)-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

8581-0098

Molecular Formula

C18H26N2 (C18 H26 N2)

Compound Name

1-(2-cyclohexylethyl)-2-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

1-(2-cyclohexylethyl)-2-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)c1nc(cccc2)c2n1CCC1CCCCC1

InChI

InChI=1S/C18H26N2/c1-14(2)18-19-16-10-6-7-11-17(16)20(18)13-12-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3

InChI Key

ILPCNBUFBFIQIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.742

Water Solubility, LogSw

-5.71

Polar Surface Area

10.338

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

8581-0098 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8581-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8581-0098?
Check Price and Availability of 8581-0098, 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 8581-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8581-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8581-0098
  • 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 8581-0098 available by request