M406-1404 Screening compound: N-(4-fluoro-2-methylphenyl)-1-{3-[(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

M406-1404 Screening compound: N-(4-fluoro-2-methylphenyl)-1-{3-[(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide
M406-1404 Screening compound: N-(4-fluoro-2-methylphenyl)-1-{3-[(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M406-1404
N-(4-fluoro-2-methylphenyl)-1-{3-[(3-methylphenyl)carbamoyl]phenyl}-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

M406-1404

Molecular Formula

C26H24FN3O3 (C26 H24 FN3 O3)

Compound Name

N-(4-fluoro-2-methylphenyl)-1-{3-[(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(4-fluoro-2-methylphenyl)-1-{3-[(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cccc(NC(c2cccc(N(CC(C3)C(Nc(cc4)c(C)cc4F)=O)C3=O)c2)=O)c1

InChI

InChI=1S/C26H24FN3O3/c1-16-5-3-7-21(11-16)28-25(32)18-6-4-8-22(13-18)30-15-19(14-24(30)31)26(33)29-23-10-9-20(27)12-17(23)2/h3-13,19H,14-15H2,1-2H3,(H,28,32)(H,29,33)/t19-/m0/s1

InChI Key

YDUCCQKGHWYJKN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27540076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-3.89

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

M406-1404 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M406-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M406-1404?
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What is the minimum amount of M406-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M406-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M406-1404
  • 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 M406-1404 available by request