J106-0456 Screening compound: ethyl 2-{2-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-amido]-1,3-thiazol-4-yl}acetate

J106-0456 Screening compound: ethyl 2-{2-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-amido]-1,3-thiazol-4-yl}acetate
J106-0456 Screening compound: ethyl 2-{2-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-amido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0456
ethyl 2-{2-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-amido]-1,3-thiazol-4-yl}acetate

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

J106-0456

Molecular Formula

C19H18FN5O4S (C19 H18 FN5 O4 S)

Compound Name

ethyl 2-{2-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-amido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-amido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(C(CC2=O)CN2c2n[nH]c3cccc(F)c23)=O)n1)=O

InChI

InChI=1S/C19H18FN5O4S/c1-2-29-15(27)7-11-9-30-19(21-11)22-18(28)10-6-14(26)25(8-10)17-16-12(20)4-3-5-13(16)23-24-17/h3-5,9-10H,2,6-8H2,1H3,(H,23,24)(H,21,22,28)/t10-/m0/s1

InChI Key

AOGIFZXXQZLKPZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28578242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-2.96

Polar Surface Area

93.189

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

J106-0456 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Chelators targeting matrix metalloproteinases library (8930 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
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0456?
Check Price and Availability of J106-0456, 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 J106-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0456
  • 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 J106-0456 available by request