0086-0009 Screening compound: 2-(4-fluorophenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium

0086-0009 Screening compound: 2-(4-fluorophenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium
0086-0009 Screening compound: 2-(4-fluorophenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0086-0009
2-(4-fluorophenyl)-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

0086-0009

Molecular Formula

C15H14FN2 (C15 H14 FN2)

Compound Name

2-(4-fluorophenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium

IUPAC name

2-(4-fluorophenyl)-13-dimethyl-1H-13-benzodiazol-3-ium

SMILES

Cn1c(-c(cc2)ccc2F)[n+](C)c2c1cccc2

InChI

InChI=1S/C15H14FN2/c1-17-13-5-3-4-6-14(13)18(2)15(17)11-7-9-12(16)10-8-11/h3-10H,1-2H3/q+1

InChI Key

XPMYMRDFXSYSLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804684

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

241.29

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.58

Polar Surface Area

3.522

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0086-0009 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0086-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0086-0009?
Check Price and Availability of 0086-0009, 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 0086-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0086-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0086-0009
  • 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 0086-0009 available by request