G680-0019 Screening compound: 1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one

G680-0019 Screening compound: 1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one
G680-0019 Screening compound: 1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0019
1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-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

G680-0019

Molecular Formula

C16H27N3O3S (C16 H27 N3 O3 S)

Compound Name

1-{3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one

IUPAC name

1-{35-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-22-dimethylpropan-1-one

SMILES

CC(CC1)CCN1S(c1c(C)n(C(C(C)(C)C)=O)nc1C)(=O)=O

InChI

InChI=1S/C16H27N3O3S/c1-11-7-9-18(10-8-11)23(21,22)14-12(2)17-19(13(14)3)15(20)16(4,5)6/h11H,7-10H2,1-6H3

InChI Key

UISZRPCZLTUNTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-1.95

Polar Surface Area

59.835

Acid Dissociation Constant (pKa)

25.70

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

G680-0019 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G680-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0019?
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What is the minimum amount of G680-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0019
  • 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 G680-0019 available by request