G072-1045 Screening compound: 2,2-dimethyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}propanamide

G072-1045 Screening compound: 2,2-dimethyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}propanamide
G072-1045 Screening compound: 2,2-dimethyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1045
2,2-dimethyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}propanamide

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

G072-1045

Molecular Formula

C18H20N4O2S2 (C18 H20 N4 O2 S2)

Compound Name

2,2-dimethyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}propanamide

IUPAC name

22-dimethyl-N-{2-[({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}propanamide

SMILES

CC(C)(C)C(Nc(cccc1)c1SCC(N=C1SC(C)=NN11)=CC1=O)=O

InChI

InChI=1S/C18H20N4O2S2/c1-11-21-22-15(23)9-12(19-17(22)26-11)10-25-14-8-6-5-7-13(14)20-16(24)18(2,3)4/h5-9H,10H2,1-4H3,(H,20,24)

InChI Key

ZVJZDTISNFRYKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.41

Polar Surface Area

60.109

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G072-1045 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G072-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1045?
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What is the minimum amount of G072-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1045
  • 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 G072-1045 available by request