P681-0394 Screening compound: 1'-(3-fluorobenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one

P681-0394 Screening compound: 1'-(3-fluorobenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
P681-0394 Screening compound: 1'-(3-fluorobenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P681-0394
1'-(3-fluorobenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-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

P681-0394

Molecular Formula

C20H19FN2O3 (C20 H19 FN2 O3)

Compound Name

1'-(3-fluorobenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one

IUPAC name

1'-(3-fluorobenzoyl)-5-methoxy-1-methyl-12-dihydrospiro[indole-33'-pyrrolidin]-2-one

SMILES

CN(C(C1(CC2)CN2C(c2cccc(F)c2)=O)=O)c(cc2)c1cc2OC

InChI

InChI=1S/C20H19FN2O3/c1-22-17-7-6-15(26-2)11-16(17)20(19(22)25)8-9-23(12-20)18(24)13-4-3-5-14(21)10-13/h3-7,10-11H,8-9,12H2,1-2H3/t20-/m0/s1

InChI Key

KKYPDAHCLZXMLH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27611629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-2.97

Polar Surface Area

39.964

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

P681-0394 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P681-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0394?
Check Price and Availability of P681-0394, 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 P681-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P681-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P681-0394
  • 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 P681-0394 available by request