C614-5530 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-nitrobenzenesulfonyl)piperidine

C614-5530 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-nitrobenzenesulfonyl)piperidine
C614-5530 Screening compound: 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-nitrobenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5530
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-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

C614-5530

Molecular Formula

C20H20N4O6S (C20 H20 N4 O6 S)

Compound Name

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

IUPAC name

4-[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]-1-(3-nitrobenzenesulfonyl)piperidine

SMILES

COc(cccc1)c1-c1nnc(C(CC2)CCN2S(c2cc([N+]([O-])=O)ccc2)(=O)=O)o1

InChI

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

InChI Key

CSHYMSJTVCEHRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776600

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

3.053

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.57

Polar Surface Area

103.205

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C614-5530 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 C614-5530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5530?
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What is the minimum amount of C614-5530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5530
  • 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 C614-5530 available by request