C679-6609 Screening compound: N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzenesulfonamide

C679-6609 Screening compound: N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzenesulfonamide
C679-6609 Screening compound: N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6609
N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzenesulfonamide

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

C679-6609

Molecular Formula

C21H20N4O4S2 (C21 H20 N4 O4 S2)

Compound Name

N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzenesulfonamide

IUPAC name

N-[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzenesulfonamide

SMILES

CCCC(SC1=NC(COc(cc2)ccc2NS(c2ccccc2)(=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C21H20N4O4S2/c1-2-6-19-23-25-20(26)13-16(22-21(25)30-19)14-29-17-11-9-15(10-12-17)24-31(27,28)18-7-4-3-5-8-18/h3-5,7-13,24H,2,6,14H2,1H3

InChI Key

WRRLRIRSYRFHTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-3.93

Polar Surface Area

86.323

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C679-6609 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 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 C679-6609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6609?
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What is the minimum amount of C679-6609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6609
  • 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 C679-6609 available by request