M976-0130 Screening compound: methyl 3-[1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxopyrrolidine-3-amido]benzoate

M976-0130 Screening compound: methyl 3-[1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxopyrrolidine-3-amido]benzoate
M976-0130 Screening compound: methyl 3-[1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxopyrrolidine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M976-0130
methyl 3-[1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxopyrrolidine-3-amido]benzoate

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

M976-0130

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

methyl 3-[1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxopyrrolidine-3-amido]benzoate

IUPAC name

methyl 3-[1-(1-acetyl-23-dihydro-1H-indol-5-yl)-5-oxopyrrolidine-3-amido]benzoate

SMILES

CC(N(CC1)c(cc2)c1cc2N(CC(C1)C(Nc2cc(C(OC)=O)ccc2)=O)C1=O)=O

InChI

InChI=1S/C23H23N3O5/c1-14(27)25-9-8-15-11-19(6-7-20(15)25)26-13-17(12-21(26)28)22(29)24-18-5-3-4-16(10-18)23(30)31-2/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H,24,29)/t17-/m1/s1

InChI Key

IGBBDPSIRIMOJG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27558260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-2.30

Polar Surface Area

77.672

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

M976-0130 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with M976-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M976-0130?
Check Price and Availability of M976-0130, 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 M976-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M976-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M976-0130
  • 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 M976-0130 available by request