G680-0697 Screening compound: 1-{[1-(4-butoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-3-methylpiperidine

G680-0697 Screening compound: 1-{[1-(4-butoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-3-methylpiperidine
G680-0697 Screening compound: 1-{[1-(4-butoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-3-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0697
1-{[1-(4-butoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-3-methylpiperidine

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

G680-0697

Molecular Formula

C21H31N3O5S2 (C21 H31 N3 O5 S2)

Compound Name

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

IUPAC name

1-{[1-(4-butoxybenzenesulfonyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}-3-methylpiperidine

SMILES

CCCCOc(cc1)ccc1S(n1nc(C)c(S(N2CC(C)CCC2)(=O)=O)c1C)(=O)=O

InChI

InChI=1S/C21H31N3O5S2/c1-5-6-14-29-19-9-11-20(12-10-19)30(25,26)24-18(4)21(17(3)22-24)31(27,28)23-13-7-8-16(2)15-23/h9-12,16H,5-8,13-15H2,1-4H3/t16-/m0/s1

InChI Key

NUIBUSRWHVNJKT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09237324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.64

Polar Surface Area

79.921

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

G680-0697 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G680-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0697?
Check Price and Availability of G680-0697, 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 G680-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0697
  • 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 G680-0697 available by request