M406-1412 Screening compound: N-(3-methylphenyl)-3-{2-oxo-4-[4-(propan-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}benzamide

M406-1412 Screening compound: N-(3-methylphenyl)-3-{2-oxo-4-[4-(propan-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}benzamide
M406-1412 Screening compound: N-(3-methylphenyl)-3-{2-oxo-4-[4-(propan-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M406-1412
N-(3-methylphenyl)-3-{2-oxo-4-[4-(propan-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}benzamide

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

M406-1412

Molecular Formula

C26H32N4O3 (C26 H32 N4 O3)

Compound Name

N-(3-methylphenyl)-3-{2-oxo-4-[4-(propan-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}benzamide

IUPAC name

N-(3-methylphenyl)-3-{2-oxo-4-[4-(propan-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}benzamide

SMILES

CC(C)N(CC1)CCN1C(C(CC1=O)CN1c1cc(C(Nc2cc(C)ccc2)=O)ccc1)=O

InChI

InChI=1S/C26H32N4O3/c1-18(2)28-10-12-29(13-11-28)26(33)21-16-24(31)30(17-21)23-9-5-7-20(15-23)25(32)27-22-8-4-6-19(3)14-22/h4-9,14-15,18,21H,10-13,16-17H2,1-3H3,(H,27,32)/t21-/m1/s1

InChI Key

IMZAANGYKNZRQK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27540082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-3.09

Polar Surface Area

60.592

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

M406-1412 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M406-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M406-1412?
Check Price and Availability of M406-1412, 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 M406-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M406-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M406-1412
  • 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 M406-1412 available by request