G680-0585 Screening compound: 1-{[3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazol-4-yl]sulfonyl}azepane

G680-0585 Screening compound: 1-{[3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazol-4-yl]sulfonyl}azepane
G680-0585 Screening compound: 1-{[3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazol-4-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0585
1-{[3,5-dimethyl-1-(thiophene-2-sulfonyl)-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

G680-0585

Molecular Formula

C15H21N3O4S3 (C15 H21 N3 O4 S3)

Compound Name

1-{[3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazol-4-yl]sulfonyl}azepane

IUPAC name

1-{[35-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazol-4-yl]sulfonyl}azepane

SMILES

Cc(n(nc1C)S(c2cccs2)(=O)=O)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C15H21N3O4S3/c1-12-15(25(21,22)17-9-5-3-4-6-10-17)13(2)18(16-12)24(19,20)14-8-7-11-23-14/h7-8,11H,3-6,9-10H2,1-2H3

InChI Key

OCSRKZHYEFXNER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

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

1.828

Distribution Coefficient, logD

1.828

Water Solubility, LogSw

-2.24

Polar Surface Area

73.919

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

G680-0585 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G680-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0585?
Check Price and Availability of G680-0585, 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 G680-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0585
  • 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 G680-0585 available by request