G072-0102 Screening compound: 2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G072-0102 Screening compound: 2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G072-0102 Screening compound: 2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-0102
2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

G072-0102

Molecular Formula

C16H18N4OS (C16 H18 N4 OS)

Compound Name

2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-ethyl-7-{[methyl(3-methylphenyl)amino]methyl}-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCC(SC1=NC(CN(C)c2cc(C)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C16H18N4OS/c1-4-14-18-20-15(21)9-12(17-16(20)22-14)10-19(3)13-7-5-6-11(2)8-13/h5-9H,4,10H2,1-3H3

InChI Key

YGSQABNDEJXHIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.16

Polar Surface Area

41.400

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G072-0102 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G072-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-0102?
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What is the minimum amount of G072-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-0102
  • 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 G072-0102 available by request