0781-2664 Screening compound: 1-(4-methylphenyl)-5-phenyl-1H-1,2,3,4-tetrazole

0781-2664 Screening compound: 1-(4-methylphenyl)-5-phenyl-1H-1,2,3,4-tetrazole
0781-2664 Screening compound: 1-(4-methylphenyl)-5-phenyl-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2664
1-(4-methylphenyl)-5-phenyl-1H-1,2,3,4-tetrazole

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

0781-2664

Molecular Formula

C14H12N4 (C14 H12 N4)

Compound Name

1-(4-methylphenyl)-5-phenyl-1H-1,2,3,4-tetrazole

IUPAC name

1-(4-methylphenyl)-5-phenyl-1H-1234-tetrazole

SMILES

Cc(cc1)ccc1-n1nnnc1-c1ccccc1

InChI

InChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-14(15-16-17-18)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

XYRLQFRSIYROMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00450877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.40

Polar Surface Area

39.307

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

0781-2664 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 0781-2664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2664?
Check Price and Availability of 0781-2664, 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 0781-2664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2664
  • 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 0781-2664 available by request