C301-5279 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C301-5279 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
C301-5279 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5279
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

C301-5279

Molecular Formula

C15H11ClF3N3O3S2 (C15 H11 ClF3 N3 O3 S2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-37-dimethyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

CC(N1C2=O)=CSC1=NC(C)=C2S(Nc(cc(C(F)(F)F)cc1)c1Cl)(=O)=O

InChI

InChI=1S/C15H11ClF3N3O3S2/c1-7-6-26-14-20-8(2)12(13(23)22(7)14)27(24,25)21-11-5-9(15(17,18)19)3-4-10(11)16/h3-6,21H,1-2H3

InChI Key

UPKYCQOCMQKYHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

-1.618

Water Solubility, LogSw

-3.66

Polar Surface Area

64.721

Acid Dissociation Constant (pKa)

2.72

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-5279 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C301-5279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5279?
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What is the minimum amount of C301-5279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5279
  • 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 C301-5279 available by request