C614-5580 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzenesulfonyl)piperidine

C614-5580 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzenesulfonyl)piperidine
C614-5580 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5580
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzenesulfonyl)piperidine

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

C614-5580

Molecular Formula

C20H20N4O6S (C20 H20 N4 O6 S)

Compound Name

4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzenesulfonyl)piperidine

IUPAC name

4-[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]-1-(2-nitrobenzenesulfonyl)piperidine

SMILES

COc(cccc1)c1-c1nnc(C(CC2)CCN2S(c(cccc2)c2[N+]([O-])=O)(=O)=O)o1

InChI

InChI=1S/C20H20N4O6S/c1-29-17-8-4-2-6-15(17)20-22-21-19(30-20)14-10-12-23(13-11-14)31(27,28)18-9-5-3-7-16(18)24(25)26/h2-9,14H,10-13H2,1H3

InChI Key

OHVJKDLZNIHGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.58

Polar Surface Area

102.905

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C614-5580 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-5580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5580?
Check Price and Availability of C614-5580, 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 C614-5580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5580
  • 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 C614-5580 available by request