G952-0525 Screening compound: N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide

G952-0525 Screening compound: N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide
G952-0525 Screening compound: N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0525
N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide

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

G952-0525

Molecular Formula

C15H16FN5OS (C15 H16 FN5 OS)

Compound Name

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

IUPAC name

N-[3-(3-fluoro-4-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]pentanamide

SMILES

CCCCC(Nc(s1)nn2c1nnc2-c1cc(F)c(C)cc1)=O

InChI

InChI=1S/C15H16FN5OS/c1-3-4-5-12(22)17-14-20-21-13(18-19-15(21)23-14)10-7-6-9(2)11(16)8-10/h6-8H,3-5H2,1-2H3,(H,17,20,22)

InChI Key

XLIIMPTZWNLANN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.76

Polar Surface Area

57.183

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G952-0525 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 G952-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0525?
Check Price and Availability of G952-0525, 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 G952-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0525
  • 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 G952-0525 available by request