C679-4417 Screening compound: N-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide

C679-4417 Screening compound: N-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide
C679-4417 Screening compound: N-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4417
N-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide

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

C679-4417

Molecular Formula

C19H16N4O3S2 (C19 H16 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(SC1=NC(COc(cc2)ccc2NC(c2cccs2)=O)=C2)=NN1C2=O

InChI

InChI=1S/C19H16N4O3S2/c1-2-16-22-23-17(24)10-13(21-19(23)28-16)11-26-14-7-5-12(6-8-14)20-18(25)15-4-3-9-27-15/h3-10H,2,11H2,1H3,(H,20,25)

InChI Key

JILFKJZEFZACDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.65

Polar Surface Area

69.783

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C679-4417 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 C679-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4417?
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What is the minimum amount of C679-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4417
  • 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 C679-4417 available by request