D048-0066 Screening compound: 5-[(4-methylphenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole

D048-0066 Screening compound: 5-[(4-methylphenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole
D048-0066 Screening compound: 5-[(4-methylphenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0066
5-[(4-methylphenoxy)methyl]-1-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

D048-0066

Molecular Formula

C15H14N4O (C15 H14 N4 O)

Compound Name

5-[(4-methylphenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole

IUPAC name

5-[(4-methylphenoxy)methyl]-1-phenyl-1H-1234-tetrazole

SMILES

Cc(cc1)ccc1OCc1nnnn1-c1ccccc1

InChI

InChI=1S/C15H14N4O/c1-12-7-9-14(10-8-12)20-11-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key

SLPOHMVMCZWHDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.03

Polar Surface Area

47.782

Acid Dissociation Constant (pKa)

25.65

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D048-0066 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D048-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0066?
Check Price and Availability of D048-0066, 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 D048-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0066
  • 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 D048-0066 available by request