J106-0131 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1-(1H-indazol-3-yl)-2-pyrrolidinone

J106-0131 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1-(1H-indazol-3-yl)-2-pyrrolidinone
J106-0131 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1-(1H-indazol-3-yl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0131
4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1-(1H-indazol-3-yl)-2-pyrrolidinone

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

J106-0131

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1-(1H-indazol-3-yl)-2-pyrrolidinone

IUPAC name

1-(1H-indazol-3-yl)-4-(1234-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c1n[nH]c2c1cccc2)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H20N4O2/c26-19-11-16(13-25(19)20-17-7-3-4-8-18(17)22-23-20)21(27)24-10-9-14-5-1-2-6-15(14)12-24/h1-8,16H,9-13H2,(H,22,23)/t16-/m1/s1

InChI Key

SIBDROHIRHERSG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27963170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-2.84

Polar Surface Area

55.708

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

J106-0131 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiparasite Library (23996 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0131?
Check Price and Availability of J106-0131, 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 J106-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0131
  • 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 J106-0131 available by request