J106-0171 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

J106-0171 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
J106-0171 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0171
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

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

J106-0171

Molecular Formula

C21H18N6O2S (C21 H18 N6 O2 S)

Compound Name

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(5-benzyl-134-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c1n[nH]c2c1cccc2)Nc1nnc(Cc2ccccc2)s1

InChI

InChI=1S/C21H18N6O2S/c28-18-11-14(12-27(18)19-15-8-4-5-9-16(15)23-25-19)20(29)22-21-26-24-17(30-21)10-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,23,25)(H,22,26,29)/t14-/m0/s1

InChI Key

WVFUSMUGAZNBTD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28578205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.24

Polar Surface Area

86.257

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

J106-0171 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • Proteases
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0171?
Check Price and Availability of J106-0171, 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 J106-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0171
  • 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 J106-0171 available by request