G680-0576 Screening compound: 1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

G680-0576 Screening compound: 1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
G680-0576 Screening compound: 1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0576
1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

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

G680-0576

Molecular Formula

C19H27N3O5S2 (C19 H27 N3 O5 S2)

Compound Name

1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

IUPAC name

1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

SMILES

Cc(n(nc1C)S(c(cc2)cc(C)c2OC)(=O)=O)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C19H27N3O5S2/c1-14-13-17(9-10-18(14)27-4)28(23,24)22-16(3)19(15(2)20-22)29(25,26)21-11-7-5-6-8-12-21/h9-10,13H,5-8,11-12H2,1-4H3

InChI Key

LKMYFSZHZRFKOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-2.88

Polar Surface Area

80.531

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

G680-0576 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G680-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0576?
Check Price and Availability of G680-0576, 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 G680-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0576
  • 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 G680-0576 available by request