G680-0568 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazole

G680-0568 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazole
G680-0568 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0568
1-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazole

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

G680-0568

Molecular Formula

C17H23N3O6S2 (C17 H23 N3 O6 S2)

Compound Name

1-(3,4-dimethoxybenzenesulfonyl)-3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazole

IUPAC name

1-(34-dimethoxybenzenesulfonyl)-35-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazole

SMILES

Cc(n(nc1C)S(c(cc2)cc(OC)c2OC)(=O)=O)c1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C17H23N3O6S2/c1-12-17(28(23,24)19-9-5-6-10-19)13(2)20(18-12)27(21,22)14-7-8-15(25-3)16(11-14)26-4/h7-8,11H,5-6,9-10H2,1-4H3

InChI Key

ZAOHWZTWRAYRIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.971

Distribution Coefficient, logD

0.971

Water Solubility, LogSw

-2.28

Polar Surface Area

88.197

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

G680-0568 in Drug Discovery

Included in Screening Libraries

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 G680-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0568?
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What is the minimum amount of G680-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0568
  • 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 G680-0568 available by request