G680-0517 Screening compound: 1-{[1-(benzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine

G680-0517 Screening compound: 1-{[1-(benzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
G680-0517 Screening compound: 1-{[1-(benzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0517
1-{[1-(benzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine

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

G680-0517

Molecular Formula

C17H23N3O4S2 (C17 H23 N3 O4 S2)

Compound Name

1-{[1-(benzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine

IUPAC name

1-{[1-(benzenesulfonyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine

SMILES

CC(CC1)CCN1S(c(c(C)n1)c(C)n1S(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H23N3O4S2/c1-13-9-11-19(12-10-13)26(23,24)17-14(2)18-20(15(17)3)25(21,22)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3

InChI Key

ACXWEJAZUTXOJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09283636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.35

Polar Surface Area

72.570

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

G680-0517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G680-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0517?
Check Price and Availability of G680-0517, 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 G680-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0517
  • 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 G680-0517 available by request