P681-0313 Screening compound: 1'-(3-fluorobenzenesulfonyl)-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one

P681-0313 Screening compound: 1'-(3-fluorobenzenesulfonyl)-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
P681-0313 Screening compound: 1'-(3-fluorobenzenesulfonyl)-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P681-0313
1'-(3-fluorobenzenesulfonyl)-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

P681-0313

Molecular Formula

C18H17FN2O3S (C18 H17 FN2 O3 S)

Compound Name

1'-(3-fluorobenzenesulfonyl)-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one

IUPAC name

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

SMILES

CN(C(C1(CC2)CN2S(c2cc(F)ccc2)(=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C18H17FN2O3S/c1-20-16-8-3-2-7-15(16)18(17(20)22)9-10-21(12-18)25(23,24)14-6-4-5-13(19)11-14/h2-8,11H,9-10,12H2,1H3/t18-/m0/s1

InChI Key

SPXDNCRIRSPVBB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27611562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.405

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-3.03

Polar Surface Area

47.483

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

P681-0313 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P681-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0313?
Check Price and Availability of P681-0313, 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 P681-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P681-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P681-0313
  • 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 P681-0313 available by request