M745-0280 Screening compound: 3-methyl-1-(4-{[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one

M745-0280 Screening compound: 3-methyl-1-(4-{[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one
M745-0280 Screening compound: 3-methyl-1-(4-{[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0280
3-methyl-1-(4-{[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one

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

M745-0280

Molecular Formula

C24H36N2O3 (C24 H36 N2 O3)

Compound Name

3-methyl-1-(4-{[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one

IUPAC name

3-methyl-1-(4-{[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one

SMILES

CC(C)CC(N1CCC(COc(cc2)ccc2C(N2CCC(C)CC2)=O)CC1)=O

InChI

InChI=1S/C24H36N2O3/c1-18(2)16-23(27)25-14-10-20(11-15-25)17-29-22-6-4-21(5-7-22)24(28)26-12-8-19(3)9-13-26/h4-7,18-20H,8-17H2,1-3H3

InChI Key

AIESINIREXEKOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.21

Polar Surface Area

40.507

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

M745-0280 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M745-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0280?
Check Price and Availability of M745-0280, 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 M745-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0280
  • 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 M745-0280 available by request