G072-0107 Screening compound: 7-{[(4-chlorophenyl)(methyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G072-0107 Screening compound: 7-{[(4-chlorophenyl)(methyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G072-0107 Screening compound: 7-{[(4-chlorophenyl)(methyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-0107
7-{[(4-chlorophenyl)(methyl)amino]methyl}-2-ethyl-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

G072-0107

Molecular Formula

C15H15ClN4OS (C15 H15 ClN4 OS)

Compound Name

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

IUPAC name

7-{[(4-chlorophenyl)(methyl)amino]methyl}-2-ethyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCC(SC1=NC(CN(C)c(cc2)ccc2Cl)=C2)=NN1C2=O

InChI

InChI=1S/C15H15ClN4OS/c1-3-13-18-20-14(21)8-11(17-15(20)22-13)9-19(2)12-6-4-10(16)5-7-12/h4-8H,3,9H2,1-2H3

InChI Key

MWNNKEMIAKMJRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.83

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

3.270

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.55

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

26.70

G072-0107 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G072-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-0107?
Check Price and Availability of G072-0107, 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 G072-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-0107
  • 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 G072-0107 available by request