C679-4000 Screening compound: N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide

C679-4000 Screening compound: N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide
C679-4000 Screening compound: N-[3-({2-methyl-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 C679-4000
N-[3-({2-methyl-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

C679-4000

Molecular Formula

C18H14N4O3S2 (C18 H14 N4 O3 S2)

Compound Name

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

IUPAC name

N-[3-({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]thiophene-2-carboxamide

SMILES

CC(SC1=NC(COc2cc(NC(c3cccs3)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C18H14N4O3S2/c1-11-21-22-16(23)9-13(20-18(22)27-11)10-25-14-5-2-4-12(8-14)19-17(24)15-6-3-7-26-15/h2-9H,10H2,1H3,(H,19,24)

InChI Key

ZKQIHRVYKDPQRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.41

Polar Surface Area

69.053

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C679-4000 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 C679-4000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4000?
Check Price and Availability of C679-4000, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C679-4000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4000
  • 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 C679-4000 available by request