P681-0132 Screening compound: 5-methoxy-1'-(2-thienylcarbonyl)spiro[indole-3,3'-pyrrolidin]-2(1{H})-one

P681-0132 Screening compound: 5-methoxy-1'-(2-thienylcarbonyl)spiro[indole-3,3'-pyrrolidin]-2(1{H})-one
P681-0132 Screening compound: 5-methoxy-1'-(2-thienylcarbonyl)spiro[indole-3,3'-pyrrolidin]-2(1{H})-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P681-0132
5-methoxy-1'-(2-thienylcarbonyl)spiro[indole-3,3'-pyrrolidin]-2(1{H})-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

P681-0132

Molecular Formula

C17H16N2O3S (C17 H16 N2 O3 S)

Compound Name

5-methoxy-1'-(2-thienylcarbonyl)spiro[indole-3,3'-pyrrolidin]-2(1{H})-one

IUPAC name

5-methoxy-1'-(thiophene-2-carbonyl)-12-dihydrospiro[indole-33'-pyrrolidin]-2-one

SMILES

COc(cc1)cc(C2(CC3)CN3C(c3cccs3)=O)c1NC2=O

InChI

InChI=1S/C17H16N2O3S/c1-22-11-4-5-13-12(9-11)17(16(21)18-13)6-7-19(10-17)15(20)14-3-2-8-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,18,21)/t17-/m0/s1

InChI Key

SZRGXUYIYOKLOH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27611407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-3.12

Polar Surface Area

50.720

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

P681-0132 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P681-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0132?
Check Price and Availability of P681-0132, 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 P681-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P681-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P681-0132
  • 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 P681-0132 available by request