M976-0113 Screening compound: 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

M976-0113 Screening compound: 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
M976-0113 Screening compound: 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M976-0113
1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-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

M976-0113

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(1-acetyl-23-dihydro-1H-indol-5-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

CC(N(CC1)c(cc2)c1cc2N(CC(C1)C(NCc(cccc2)c2F)=O)C1=O)=O

InChI

InChI=1S/C22H22FN3O3/c1-14(27)25-9-8-15-10-18(6-7-20(15)25)26-13-17(11-21(26)28)22(29)24-12-16-4-2-3-5-19(16)23/h2-7,10,17H,8-9,11-13H2,1H3,(H,24,29)/t17-/m0/s1

InChI Key

RESAQEKKYQAHKE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27558244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.636

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-2.13

Polar Surface Area

57.820

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

M976-0113 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M976-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M976-0113?
Check Price and Availability of M976-0113, 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 M976-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M976-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M976-0113
  • 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 M976-0113 available by request