5696-0056 Screening compound: 2-(4-methoxyphenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium

5696-0056 Screening compound: 2-(4-methoxyphenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium
5696-0056 Screening compound: 2-(4-methoxyphenyl)-1,3-dimethyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5696-0056
2-(4-methoxyphenyl)-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

5696-0056

Molecular Formula

C16H17N2O (C16 H17 N2 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(-c(cc2)ccc2OC)[n+](C)c2c1cccc2

InChI

InChI=1S/C16H17N2O/c1-17-14-6-4-5-7-15(14)18(2)16(17)12-8-10-13(19-3)11-9-12/h4-11H,1-3H3/q+1

InChI Key

HBTLZTOOBXSQQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619369

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

253.32

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.49

Polar Surface Area

11.065

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5696-0056 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 5696-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5696-0056?
Check Price and Availability of 5696-0056, 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 5696-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5696-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5696-0056
  • 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 5696-0056 available by request