G952-0701 Screening compound: 3-cyclopentyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide

G952-0701 Screening compound: 3-cyclopentyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide
G952-0701 Screening compound: 3-cyclopentyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0701
3-cyclopentyl-N-{3-methyl-[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

G952-0701

Molecular Formula

C12H17N5OS (C12 H17 N5 OS)

Compound Name

3-cyclopentyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide

IUPAC name

3-cyclopentyl-N-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}propanamide

SMILES

Cc1nnc2sc(NC(CCC3CCCC3)=O)nn12

InChI

InChI=1S/C12H17N5OS/c1-8-14-15-12-17(8)16-11(19-12)13-10(18)7-6-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,13,16,18)

InChI Key

USPYQSVXPVQXIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.617

Water Solubility, LogSw

-2.31

Polar Surface Area

58.519

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

G952-0701 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G952-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0701?
Check Price and Availability of G952-0701, 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 G952-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0701
  • 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 G952-0701 available by request