G072-0184 Screening compound: 2-butyl-7-{[ethyl(phenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G072-0184 Screening compound: 2-butyl-7-{[ethyl(phenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G072-0184 Screening compound: 2-butyl-7-{[ethyl(phenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-0184
2-butyl-7-{[ethyl(phenyl)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

G072-0184

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(SC1=NC(CN(CC)c2ccccc2)=C2)=NN1C2=O

InChI

InChI=1S/C18H22N4OS/c1-3-5-11-16-20-22-17(23)12-14(19-18(22)24-16)13-21(4-2)15-9-7-6-8-10-15/h6-10,12H,3-5,11,13H2,1-2H3

InChI Key

PTJKTJRYDXVUPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.00

Polar Surface Area

41.186

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G072-0184 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G072-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-0184?
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What is the minimum amount of G072-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-0184
  • 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 G072-0184 available by request