6566-0388 Screening compound: 5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

6566-0388 Screening compound: 5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
6566-0388 Screening compound: 5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6566-0388
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-nitrophenyl)-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

6566-0388

Molecular Formula

C16H12BrN3O4 (C16 H12 BrN3 O4)

Compound Name

5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-nitrophenyl)-124-oxadiazole

SMILES

Cc(cc1)cc(Br)c1OCc1nc(-c(cc2)ccc2[N+]([O-])=O)no1

InChI

InChI=1S/C16H12BrN3O4/c1-10-2-7-14(13(17)8-10)23-9-15-18-16(19-24-15)11-3-5-12(6-4-11)20(21)22/h2-8H,9H2,1H3

InChI Key

DFEDCMLIQFFMDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.81

Polar Surface Area

72.277

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 6566-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6566-0388?
Check Price and Availability of 6566-0388, 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 6566-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6566-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6566-0388
  • 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 6566-0388 available by request