C679-6610 Screening compound: 4-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzene-1-sulfonamide

C679-6610 Screening compound: 4-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzene-1-sulfonamide
C679-6610 Screening compound: 4-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6610
4-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzene-1-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

C679-6610

Molecular Formula

C21H19ClN4O4S2 (C21 H19 ClN4 O4 S2)

Compound Name

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

IUPAC name

4-chloro-N-[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzene-1-sulfonamide

SMILES

CCCC(SC1=NC(COc(cc2)ccc2NS(c(cc2)ccc2Cl)(=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C21H19ClN4O4S2/c1-2-3-19-24-26-20(27)12-16(23-21(26)31-19)13-30-17-8-6-15(7-9-17)25-32(28,29)18-10-4-14(22)5-11-18/h4-12,25H,2-3,13H2,1H3

InChI Key

UUZKXMXPKAZUBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.99

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

4.548

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.54

Polar Surface Area

86.323

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C679-6610 in Drug Discovery

Included in Screening Libraries

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

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 C679-6610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6610?
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What is the minimum amount of C679-6610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6610
  • 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 C679-6610 available by request