C301-4946 Screening compound: N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C301-4946 Screening compound: N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
C301-4946 Screening compound: N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4946
N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-7-methyl-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

C301-4946

Molecular Formula

C18H21N5O5S3 (C18 H21 N5 O5 S3)

Compound Name

N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

CC(N=C1SC=CN1C1=O)=C1S(Nc(cc1)ccc1N(CC1)CCN1S(C)(=O)=O)(=O)=O

InChI

InChI=1S/C18H21N5O5S3/c1-13-16(17(24)23-11-12-29-18(23)19-13)31(27,28)20-14-3-5-15(6-4-14)21-7-9-22(10-8-21)30(2,25)26/h3-6,11-12,20H,7-10H2,1-2H3

InChI Key

UHYGZYBOJULBCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.428

Distribution Coefficient, logD

-0.244

Water Solubility, LogSw

-2.23

Polar Surface Area

100.490

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-4946 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-4946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4946?
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What is the minimum amount of C301-4946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4946
  • 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 C301-4946 available by request