G072-1041 Screening compound: N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}butanamide

G072-1041 Screening compound: N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}butanamide
G072-1041 Screening compound: N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1041
N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]phenyl}butanamide

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

G072-1041

Molecular Formula

C17H18N4O2S2 (C17 H18 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H18N4O2S2/c1-3-6-15(22)19-13-7-4-5-8-14(13)24-10-12-9-16(23)21-17(18-12)25-11(2)20-21/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,22)

InChI Key

FQNTUZPZDFYNMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.667

Water Solubility, LogSw

-2.98

Polar Surface Area

59.895

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G072-1041 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G072-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1041?
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What is the minimum amount of G072-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1041
  • 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 G072-1041 available by request