4953-1050 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

4953-1050 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
4953-1050 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1050
5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

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

4953-1050

Molecular Formula

C16H12BrClN2O2 (C16 H12 BrClN2 O2)

Compound Name

5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methylphenyl)-124-oxadiazole

SMILES

Cc(cc1)ccc1-c1noc(COc(ccc(Br)c2)c2Cl)n1

InChI

InChI=1S/C16H12BrClN2O2/c1-10-2-4-11(5-3-10)16-19-15(22-20-16)9-21-14-7-6-12(17)8-13(14)18/h2-8H,9H2,1H3

InChI Key

DOCXXSNKHADPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03138872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.598

Distribution Coefficient, logD

5.598

Water Solubility, LogSw

-6.04

Polar Surface Area

38.896

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4953-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1050?
Check Price and Availability of 4953-1050, 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 4953-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1050
  • 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 4953-1050 available by request