0361-0031 Screening compound: 5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

0361-0031 Screening compound: 5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
0361-0031 Screening compound: 5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0361-0031
5-[3-fluoro-4-(octyloxy)phenyl]-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

0361-0031

Molecular Formula

C22H24FN3O4 (C22 H24 FN3 O4)

Compound Name

5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-124-oxadiazole

SMILES

CCCCCCCCOc(ccc(-c1nc(-c(cc2)ccc2[N+]([O-])=O)no1)c1)c1F

InChI

InChI=1S/C22H24FN3O4/c1-2-3-4-5-6-7-14-29-20-13-10-17(15-19(20)23)22-24-21(25-30-22)16-8-11-18(12-9-16)26(27)28/h8-13,15H,2-7,14H2,1H3

InChI Key

AITCDZSCNLCJJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.729

Distribution Coefficient, logD

7.729

Water Solubility, LogSw

-5.84

Polar Surface Area

72.530

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 0361-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0361-0031?
Check Price and Availability of 0361-0031, 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 0361-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0361-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0361-0031
  • 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 0361-0031 available by request