D048-0232 Screening compound: 1-phenyl-5-[(2,4,6-trimethylphenoxy)methyl]-1H-1,2,3,4-tetrazole

D048-0232 Screening compound: 1-phenyl-5-[(2,4,6-trimethylphenoxy)methyl]-1H-1,2,3,4-tetrazole
D048-0232 Screening compound: 1-phenyl-5-[(2,4,6-trimethylphenoxy)methyl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0232
1-phenyl-5-[(2,4,6-trimethylphenoxy)methyl]-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

D048-0232

Molecular Formula

C17H18N4O (C17 H18 N4 O)

Compound Name

1-phenyl-5-[(2,4,6-trimethylphenoxy)methyl]-1H-1,2,3,4-tetrazole

IUPAC name

1-phenyl-5-[(246-trimethylphenoxy)methyl]-1H-1234-tetrazole

SMILES

Cc(cc1C)cc(C)c1OCc1nnnn1-c1ccccc1

InChI

InChI=1S/C17H18N4O/c1-12-9-13(2)17(14(3)10-12)22-11-16-18-19-20-21(16)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3

InChI Key

IXQZXZSAFFTDMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06641725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

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

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.11

Polar Surface Area

47.956

Acid Dissociation Constant (pKa)

25.65

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D048-0232 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D048-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0232?
Check Price and Availability of D048-0232, 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 D048-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0232
  • 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 D048-0232 available by request