C259-0487 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide

C259-0487 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide
C259-0487 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0487
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide

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

C259-0487

Molecular Formula

C22H26N4O6S (C22 H26 N4 O6 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-(25-diethoxyphenyl)piperidine-4-carboxamide

SMILES

CCOc(cc1)cc(NC(C(CC2)CCN2S(c2cccc3nonc23)(=O)=O)=O)c1OCC

InChI

InChI=1S/C22H26N4O6S/c1-3-30-16-8-9-19(31-4-2)18(14-16)23-22(27)15-10-12-26(13-11-15)33(28,29)20-7-5-6-17-21(20)25-32-24-17/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,27)

InChI Key

AAGHSXAQLNUOMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.61

Polar Surface Area

104.766

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C259-0487 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C259-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0487?
Check Price and Availability of C259-0487, 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 C259-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0487
  • 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 C259-0487 available by request