P681-0097 Screening compound: N-(3-methylphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-pyrrolidine]-1'-carboxamide

P681-0097 Screening compound: N-(3-methylphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-pyrrolidine]-1'-carboxamide
P681-0097 Screening compound: N-(3-methylphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-pyrrolidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P681-0097
N-(3-methylphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-pyrrolidine]-1'-carboxamide

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

P681-0097

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

N-(3-methylphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-pyrrolidine]-1'-carboxamide

IUPAC name

N-(3-methylphenyl)-2-oxo-12-dihydrospiro[indole-33'-pyrrolidine]-1'-carboxamide

SMILES

Cc1cccc(NC(N(CC2)CC2(c(cccc2)c2N2)C2=O)=O)c1

InChI

InChI=1S/C19H19N3O2/c1-13-5-4-6-14(11-13)20-18(24)22-10-9-19(12-22)15-7-2-3-8-16(15)21-17(19)23/h2-8,11H,9-10,12H2,1H3,(H,20,24)(H,21,23)/t19-/m0/s1

InChI Key

BTDUZSVNISIFQF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27611376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.50

Polar Surface Area

50.979

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

P681-0097 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)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P681-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0097?
Check Price and Availability of P681-0097, 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 P681-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P681-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P681-0097
  • 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 P681-0097 available by request