G680-0531 Screening compound: 4-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine

G680-0531 Screening compound: 4-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
G680-0531 Screening compound: 4-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0531
4-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine

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

G680-0531

Molecular Formula

C15H18FN3O5S2 (C15 H18 FN3 O5 S2)

Compound Name

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

IUPAC name

4-{[1-(4-fluorobenzenesulfonyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine

SMILES

Cc(n(nc1C)S(c(cc2)ccc2F)(=O)=O)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C15H18FN3O5S2/c1-11-15(26(22,23)18-7-9-24-10-8-18)12(2)19(17-11)25(20,21)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3

InChI Key

ZHNDTVVVSUSOET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.735

Distribution Coefficient, logD

0.735

Water Solubility, LogSw

-2.22

Polar Surface Area

80.478

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G680-0531 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G680-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0531?
Check Price and Availability of G680-0531, 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 G680-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0531
  • 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 G680-0531 available by request