5532-0783 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole

5532-0783 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
5532-0783 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5532-0783
5-[(4-chloro-2-methylphenoxy)methyl]-3-(3-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

5532-0783

Molecular Formula

C16H12ClN3O4 (C16 H12 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)Cl)c1OCc1nc(-c2cc([N+]([O-])=O)ccc2)no1

InChI

InChI=1S/C16H12ClN3O4/c1-10-7-12(17)5-6-14(10)23-9-15-18-16(19-24-15)11-3-2-4-13(8-11)20(21)22/h2-8H,9H2,1H3

InChI Key

GUDHNOLXRDPCIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01625093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.74

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

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-6.08

Polar Surface Area

72.277

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 5532-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5532-0783?
Check Price and Availability of 5532-0783, 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 5532-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5532-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5532-0783
  • 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 5532-0783 available by request