J106-0358 Screening compound: 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide

J106-0358 Screening compound: 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide
J106-0358 Screening compound: 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0358
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-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

J106-0358

Molecular Formula

C15H15FN4O2 (C15 H15 FN4 O2)

Compound Name

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide

IUPAC name

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide

SMILES

C=CCNC(C(CC1=O)CN1c1n[nH]c2cccc(F)c12)=O

InChI

InChI=1S/C15H15FN4O2/c1-2-6-17-15(22)9-7-12(21)20(8-9)14-13-10(16)4-3-5-11(13)18-19-14/h2-5,9H,1,6-8H2,(H,17,22)(H,18,19)/t9-/m1/s1

InChI Key

GGMSCZHKZJNSKI-SECBINFHSA-N

MDL Number (MFCD)

MFCD27962713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.267

Distribution Coefficient, logD

1.267

Water Solubility, LogSw

-1.85

Polar Surface Area

63.924

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

J106-0358 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0358?
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What is the minimum amount of J106-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0358
  • 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 J106-0358 available by request