M976-0531 Screening compound: 1-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

M976-0531 Screening compound: 1-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
M976-0531 Screening compound: 1-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M976-0531
1-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)-4-(4-methylpiperazine-1-carbonyl)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

M976-0531

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

1-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

IUPAC name

1-(1-cyclopropanecarbonyl-23-dihydro-1H-indol-5-yl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

SMILES

CN(CC1)CCN1C(C(CC1=O)CN1c(cc1)cc(CC2)c1N2C(C1CC1)=O)=O

InChI

InChI=1S/C22H28N4O3/c1-23-8-10-24(11-9-23)21(28)17-13-20(27)26(14-17)18-4-5-19-16(12-18)6-7-25(19)22(29)15-2-3-15/h4-5,12,15,17H,2-3,6-11,13-14H2,1H3/t17-/m1/s1

InChI Key

PFQMIOISMVCAFH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27558385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.750

Distribution Coefficient, logD

0.402

Water Solubility, LogSw

-1.64

Polar Surface Area

53.315

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

M976-0531 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 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:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M976-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M976-0531?
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What is the minimum amount of M976-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M976-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M976-0531
  • 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 M976-0531 available by request