G952-0581 Screening compound: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylpropanamide

G952-0581 Screening compound: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylpropanamide
G952-0581 Screening compound: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0581
N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylpropanamide

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

G952-0581

Molecular Formula

C16H19N5O2S (C16 H19 N5 O2 S)

Compound Name

N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylpropanamide

IUPAC name

N-[3-(4-ethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-22-dimethylpropanamide

SMILES

CCOc(cc1)ccc1-c1nnc2sc(NC(C(C)(C)C)=O)nn12

InChI

InChI=1S/C16H19N5O2S/c1-5-23-11-8-6-10(7-9-11)12-18-19-15-21(12)20-14(24-15)17-13(22)16(2,3)4/h6-9H,5H2,1-4H3,(H,17,20,22)

InChI Key

REXWXEBRIGMPDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.32

Polar Surface Area

64.520

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G952-0581 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 G952-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0581?
Check Price and Availability of G952-0581, 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 G952-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0581
  • 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 G952-0581 available by request