C301-5242 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C301-5242 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
C301-5242 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5242
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

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

C301-5242

Molecular Formula

C21H25FN4O3S2 (C21 H25 FN4 O3 S2)

Compound Name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-37-dimethyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

CC(N1C2=O)=CSC1=NC(C)=C2S(NCC1CCN(Cc(cc2)ccc2F)CC1)(=O)=O

InChI

InChI=1S/C21H25FN4O3S2/c1-14-13-30-21-24-15(2)19(20(27)26(14)21)31(28,29)23-11-16-7-9-25(10-8-16)12-17-3-5-18(22)6-4-17/h3-6,13,16,23H,7-12H2,1-2H3

InChI Key

CPXKPOWBQACPCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

0.930

Water Solubility, LogSw

-2.70

Polar Surface Area

70.260

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C301-5242 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-5242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5242?
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What is the minimum amount of C301-5242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5242
  • 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 C301-5242 available by request