C259-0449 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C259-0449 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
C259-0449 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0449
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

C259-0449

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-(1234-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C22H24N4O4S/c27-22(23-18-8-3-6-15-5-1-2-7-17(15)18)16-11-13-26(14-12-16)31(28,29)20-10-4-9-19-21(20)25-30-24-19/h1-2,4-5,7,9-10,16,18H,3,6,8,11-14H2,(H,23,27)/t18-/m0/s1

InChI Key

TWJLSCKAWHOBAV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05029582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.49

Polar Surface Area

92.296

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C259-0449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C259-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0449?
Check Price and Availability of C259-0449, 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 C259-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0449
  • 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 C259-0449 available by request