D048-0067 Screening compound: 5-[(4-bromophenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole

D048-0067 Screening compound: 5-[(4-bromophenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole
D048-0067 Screening compound: 5-[(4-bromophenoxy)methyl]-1-phenyl-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0067
5-[(4-bromophenoxy)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

D048-0067

Molecular Formula

C14H11BrN4O (C14 H11 BrN4 O)

Compound Name

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

IUPAC name

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

SMILES

Brc(cc1)ccc1OCc1nnnn1-c1ccccc1

InChI

InChI=1S/C14H11BrN4O/c15-11-6-8-13(9-7-11)20-10-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,10H2

InChI Key

KQKNLKAWXPJGFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02741821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.17

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

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.25

Polar Surface Area

47.782

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D048-0067 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D048-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0067?
Check Price and Availability of D048-0067, 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 D048-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0067
  • 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 D048-0067 available by request