M307-0453 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

M307-0453 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
M307-0453 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M307-0453
N-{2-[cyclohexyl(methyl)amino]ethyl}-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

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

M307-0453

Molecular Formula

C24H36FN3O2 (C24 H36 FN3 O2)

Compound Name

N-{2-[cyclohexyl(methyl)amino]ethyl}-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

IUPAC name

N-{2-[cyclohexyl(methyl)amino]ethyl}-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

SMILES

CN(CCNC(CCC(CC1)CCN1C(c(cccc1)c1F)=O)=O)C1CCCCC1

InChI

InChI=1S/C24H36FN3O2/c1-27(20-7-3-2-4-8-20)18-15-26-23(29)12-11-19-13-16-28(17-14-19)24(30)21-9-5-6-10-22(21)25/h5-6,9-10,19-20H,2-4,7-8,11-18H2,1H3,(H,26,29)

InChI Key

PIULXEAPQMHFIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

1.464

Water Solubility, LogSw

-3.54

Polar Surface Area

43.966

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

M307-0453 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M307-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M307-0453?
Check Price and Availability of M307-0453, 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 M307-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M307-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M307-0453
  • 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 M307-0453 available by request