J106-0404 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

J106-0404 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one
J106-0404 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0404
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

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

J106-0404

Molecular Formula

C22H21ClFN5O2 (C22 H21 ClFN5 O2)

Compound Name

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

IUPAC name

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c1n[nH]c2cccc(F)c12)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H21ClFN5O2/c23-15-3-1-4-16(12-15)27-7-9-28(10-8-27)22(31)14-11-19(30)29(13-14)21-20-17(24)5-2-6-18(20)25-26-21/h1-6,12,14H,7-11,13H2,(H,25,26)/t14-/m0/s1

InChI Key

VPNCGQSRBDQSPL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27963166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.64

Polar Surface Area

59.306

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

J106-0404 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0404?
Check Price and Availability of J106-0404, 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 J106-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0404
  • 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 J106-0404 available by request