0339-0028 Screening compound: 5-chloro-1-ethyl-2-methyl-3-octyl-1H-1,3-benzodiazol-3-ium

0339-0028 Screening compound: 5-chloro-1-ethyl-2-methyl-3-octyl-1H-1,3-benzodiazol-3-ium
0339-0028 Screening compound: 5-chloro-1-ethyl-2-methyl-3-octyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0339-0028
5-chloro-1-ethyl-2-methyl-3-octyl-1H-1,3-benzodiazol-3-ium

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

0339-0028

Molecular Formula

C18H28ClN2 (C18 H28 ClN2)

Compound Name

5-chloro-1-ethyl-2-methyl-3-octyl-1H-1,3-benzodiazol-3-ium

IUPAC name

5-chloro-1-ethyl-2-methyl-3-octyl-1H-13-benzodiazol-3-ium

SMILES

CCCCCCCC[n+]1c(C)n(CC)c(cc2)c1cc2Cl

InChI

InChI=1S/C18H28ClN2/c1-4-6-7-8-9-10-13-21-15(3)20(5-2)17-12-11-16(19)14-18(17)21/h11-12,14H,4-10,13H2,1-3H3/q+1

InChI Key

FHKXHAXQHPLSLF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

307.89

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.542

Distribution Coefficient, logD

6.542

Water Solubility, LogSw

-6.34

Polar Surface Area

3.817

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

0339-0028 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0339-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0339-0028?
Check Price and Availability of 0339-0028, 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 0339-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0339-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0339-0028
  • 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 0339-0028 available by request