0804-0057 Screening compound: (1E)-3-methyl-1-(3-methylphenyl)-3-phenyltriaz-1-ene

0804-0057 Screening compound: (1E)-3-methyl-1-(3-methylphenyl)-3-phenyltriaz-1-ene
0804-0057 Screening compound: (1E)-3-methyl-1-(3-methylphenyl)-3-phenyltriaz-1-ene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0804-0057
(1E)-3-methyl-1-(3-methylphenyl)-3-phenyltriaz-1-ene

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

0804-0057

Molecular Formula

C14H15N3 (C14 H15 N3)

Compound Name

(1E)-3-methyl-1-(3-methylphenyl)-3-phenyltriaz-1-ene

IUPAC name

(1E)-3-methyl-1-(3-methylphenyl)-3-phenyltriaz-1-ene

SMILES

Cc1cccc(/N=N/N(C)c2ccccc2)c1

InChI

InChI=1S/C14H15N3/c1-12-7-6-8-13(11-12)15-16-17(2)14-9-4-3-5-10-14/h3-11H,1-2H3/b16-15+

InChI Key

WZQUKEYNINDZON-FOCLMDBBSA-N

MDL Number (MFCD)

MFCD00436738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.50

Polar Surface Area

23.602

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0804-0057 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0804-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0804-0057?
Check Price and Availability of 0804-0057, 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 0804-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0804-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0804-0057
  • 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 0804-0057 available by request