0086-0066 Screening compound: 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H-1,3-benzodiazol-3-ium

0086-0066 Screening compound: 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H-1,3-benzodiazol-3-ium
0086-0066 Screening compound: 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0086-0066
2-[4-(dimethylamino)phenyl]-1,3-dimethyl-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

0086-0066

Molecular Formula

C17H20N3 (C17 H20 N3)

Compound Name

2-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H-1,3-benzodiazol-3-ium

IUPAC name

2-[4-(dimethylamino)phenyl]-13-dimethyl-1H-13-benzodiazol-3-ium

SMILES

CN(C)c(cc1)ccc1-c1[n+](C)c(cccc2)c2n1C

InChI

InChI=1S/C17H20N3/c1-18(2)14-11-9-13(10-12-14)17-19(3)15-7-5-6-8-16(15)20(17)4/h5-12H,1-4H3/q+1

InChI Key

XQSLNGSRJSYIBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619370

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

266.37

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-3.92

Polar Surface Area

6.326

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0086-0066 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0086-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0086-0066?
Check Price and Availability of 0086-0066, 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 0086-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0086-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0086-0066
  • 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 0086-0066 available by request