C105-0594 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperidino-1-propanone

C105-0594 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperidino-1-propanone
C105-0594 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperidino-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0594
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperidino-1-propanone

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

C105-0594

Molecular Formula

C14H17N3O4S (C14 H17 N3 O4 S)

Compound Name

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperidino-1-propanone

IUPAC name

n/a

SMILES

O=C(CCS(c1cccc2nonc12)(=O)=O)N1CCCCC1

InChI

InChI=1S/C14H17N3O4S/c18-13(17-8-2-1-3-9-17)7-10-22(19,20)12-6-4-5-11-14(12)16-21-15-11/h4-6H,1-3,7-10H2

InChI Key

KXXVDZGAAICRTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-2.15

Polar Surface Area

81.485

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C105-0594 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C105-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0594?
Check Price and Availability of C105-0594, 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 C105-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0594
  • 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 C105-0594 available by request