G680-0012 Screening compound: 1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}butan-1-one

G680-0012 Screening compound: 1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}butan-1-one
G680-0012 Screening compound: 1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0012
1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}butan-1-one

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

G680-0012

Molecular Formula

C15H25N3O3S (C15 H25 N3 O3 S)

Compound Name

1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}butan-1-one

IUPAC name

1-{35-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}butan-1-one

SMILES

CCCC(n1nc(C)c(S(N2CCC(C)CC2)(=O)=O)c1C)=O

InChI

InChI=1S/C15H25N3O3S/c1-5-6-14(19)18-13(4)15(12(3)16-18)22(20,21)17-9-7-11(2)8-10-17/h11H,5-10H2,1-4H3

InChI Key

VISBGUAXFIROKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27150913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-1.86

Polar Surface Area

59.307

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

G680-0012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G680-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0012?
Check Price and Availability of G680-0012, 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 G680-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0012
  • 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 G680-0012 available by request