C301-5158 Screening compound: N-cyclooctyl-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C301-5158 Screening compound: N-cyclooctyl-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
C301-5158 Screening compound: N-cyclooctyl-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5158
N-cyclooctyl-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

C301-5158

Molecular Formula

C16H23N3O3S2 (C16 H23 N3 O3 S2)

Compound Name

N-cyclooctyl-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

N-cyclooctyl-37-dimethyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

CC(N1C2=O)=CSC1=NC(C)=C2S(NC1CCCCCCC1)(=O)=O

InChI

InChI=1S/C16H23N3O3S2/c1-11-10-23-16-17-12(2)14(15(20)19(11)16)24(21,22)18-13-8-6-4-3-5-7-9-13/h10,13,18H,3-9H2,1-2H3

InChI Key

YFGUQSVQRMGDCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.11

Polar Surface Area

66.798

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

C301-5158 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-5158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5158?
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What is the minimum amount of C301-5158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5158
  • 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 C301-5158 available by request