G952-0569 Screening compound: 2,2-dimethyl-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide

G952-0569 Screening compound: 2,2-dimethyl-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide
G952-0569 Screening compound: 2,2-dimethyl-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0569
2,2-dimethyl-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]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

G952-0569

Molecular Formula

C15H17N5OS (C15 H17 N5 OS)

Compound Name

2,2-dimethyl-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide

IUPAC name

22-dimethyl-N-[3-(3-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]propanamide

SMILES

CC(C)(C)C(Nc(s1)nn2c1nnc2-c1cc(C)ccc1)=O

InChI

InChI=1S/C15H17N5OS/c1-9-6-5-7-10(8-9)11-17-18-14-20(11)19-13(22-14)16-12(21)15(2,3)4/h5-8H,1-4H3,(H,16,19,21)

InChI Key

HEKBPTRDLXBTTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.45

Polar Surface Area

57.397

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G952-0569 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G952-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0569?
Check Price and Availability of G952-0569, 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 G952-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0569
  • 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 G952-0569 available by request