C301-5388 Screening compound: N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C301-5388 Screening compound: N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
C301-5388 Screening compound: N-({1-[(4-chlorophenyl)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 C301-5388
N-({1-[(4-chlorophenyl)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

C301-5388

Molecular Formula

C21H25ClN4O3S2 (C21 H25 ClN4 O3 S2)

Compound Name

N-({1-[(4-chlorophenyl)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-chlorophenyl)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)ccc2Cl)CC1)(=O)=O

InChI

InChI=1S/C21H25ClN4O3S2/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

WZAQPWSCIUTNJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.04

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

2.869

Distribution Coefficient, logD

1.644

Water Solubility, LogSw

-3.53

Polar Surface Area

70.260

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C301-5388 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 C301-5388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5388?
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What is the minimum amount of C301-5388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5388
  • 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 C301-5388 available by request