J106-0457 Screening compound: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

J106-0457 Screening compound: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one
J106-0457 Screening compound: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0457
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-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

J106-0457

Molecular Formula

C23H23FN4O4 (C23 H23 FN4 O4)

Compound Name

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

IUPAC name

4-(67-dimethoxy-1234-tetrahydroisoquinoline-2-carbonyl)-1-(4-fluoro-1H-indazol-3-yl)pyrrolidin-2-one

SMILES

COc1cc(CCN(C2)C(C(CC3=O)CN3c3n[nH]c4cccc(F)c34)=O)c2cc1OC

InChI

InChI=1S/C23H23FN4O4/c1-31-18-8-13-6-7-27(11-14(13)9-19(18)32-2)23(30)15-10-20(29)28(12-15)22-21-16(24)4-3-5-17(21)25-26-22/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,25,26)/t15-/m1/s1

InChI Key

RFUMHEJDQFUJLK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27963160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-3.03

Polar Surface Area

70.969

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

J106-0457 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)

KRAS-Targeted Library (16000 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
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0457?
Check Price and Availability of J106-0457, 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 J106-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0457
  • 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 J106-0457 available by request