C201-0794 Screening compound: 3-[(4-isobutylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone

C201-0794 Screening compound: 3-[(4-isobutylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
C201-0794 Screening compound: 3-[(4-isobutylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0794
3-[(4-isobutylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone

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

C201-0794

Molecular Formula

C17H21NO3S (C17 H21 NO3 S)

Compound Name

3-[(4-isobutylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone

IUPAC name

46-dimethyl-3-[4-(2-methylpropyl)benzenesulfonyl]-12-dihydropyridin-2-one

SMILES

CC(C)Cc(cc1)ccc1S(C1=C(C)C=C(C)NC1=O)(=O)=O

InChI

InChI=1S/C17H21NO3S/c1-11(2)9-14-5-7-15(8-6-14)22(20,21)16-12(3)10-13(4)18-17(16)19/h5-8,10-11H,9H2,1-4H3,(H,18,19)

InChI Key

UEASGRNHMDNKBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20231790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.77

Polar Surface Area

54.473

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

C201-0794 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C201-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0794?
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What is the minimum amount of C201-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0794
  • 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 C201-0794 available by request