P681-0420 Screening compound: 5-METHOXY-1-METHYL-1'-(PROPYLSULFONYL)SPIRO[INDOLE-3,3'-PYRROLIDIN]-2(1H)-ONE

P681-0420 Screening compound: 5-METHOXY-1-METHYL-1'-(PROPYLSULFONYL)SPIRO[INDOLE-3,3'-PYRROLIDIN]-2(1H)-ONE
P681-0420 Screening compound: 5-METHOXY-1-METHYL-1'-(PROPYLSULFONYL)SPIRO[INDOLE-3,3'-PYRROLIDIN]-2(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P681-0420
5-METHOXY-1-METHYL-1'-(PROPYLSULFONYL)SPIRO[INDOLE-3,3'-PYRROLIDIN]-2(1H)-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

P681-0420

Molecular Formula

C16H22N2O4S (C16 H22 N2 O4 S)

Compound Name

5-METHOXY-1-METHYL-1'-(PROPYLSULFONYL)SPIRO[INDOLE-3,3'-PYRROLIDIN]-2(1H)-ONE

IUPAC name

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

SMILES

CCCS(N(CC1)CC1(c(cc(cc1)OC)c1N1C)C1=O)(=O)=O

InChI

InChI=1S/C16H22N2O4S/c1-4-9-23(20,21)18-8-7-16(11-18)13-10-12(22-3)5-6-14(13)17(2)15(16)19/h5-6,10H,4,7-9,11H2,1-3H3/t16-/m0/s1

InChI Key

TUAREFSHNDWJIM-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.500

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-2.55

Polar Surface Area

55.193

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

P681-0420 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P681-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0420?
Check Price and Availability of P681-0420, 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 P681-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P681-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P681-0420
  • 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 P681-0420 available by request