G680-0558 Screening compound: 1-{[1-(4-methoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

G680-0558 Screening compound: 1-{[1-(4-methoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
G680-0558 Screening compound: 1-{[1-(4-methoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0558
1-{[1-(4-methoxybenzenesulfonyl)-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

G680-0558

Molecular Formula

C18H25N3O5S2 (C18 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(nc1C)S(c(cc2)ccc2OC)(=O)=O)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C18H25N3O5S2/c1-14-18(28(24,25)20-12-6-4-5-7-13-20)15(2)21(19-14)27(22,23)17-10-8-16(26-3)9-11-17/h8-11H,4-7,12-13H2,1-3H3

InChI Key

XXHGLQGLUKMSKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09283641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

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

2.174

Distribution Coefficient, logD

2.174

Water Solubility, LogSw

-2.46

Polar Surface Area

80.445

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G680-0558 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G680-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0558?
Check Price and Availability of G680-0558, 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 G680-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0558
  • 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 G680-0558 available by request