4173-0520 Screening compound: 5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

4173-0520 Screening compound: 5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
4173-0520 Screening compound: 5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4173-0520
5-[(4-tert-butylphenoxy)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

4173-0520

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-124-oxadiazole

SMILES

CC(C)(C)c(cc1)ccc1OCc1nc(-c(cc2)ccc2[N+]([O-])=O)no1

InChI

InChI=1S/C19H19N3O4/c1-19(2,3)14-6-10-16(11-7-14)25-12-17-20-18(21-26-17)13-4-8-15(9-5-13)22(23)24/h4-11H,12H2,1-3H3

InChI Key

BROTWTVEZZCKCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-5.63

Polar Surface Area

72.190

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 4173-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4173-0520?
Check Price and Availability of 4173-0520, 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 4173-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4173-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4173-0520
  • 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 4173-0520 available by request