M747-1492 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-[2-(3-fluorophenoxy)ethyl]piperidine

M747-1492 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-[2-(3-fluorophenoxy)ethyl]piperidine
M747-1492 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-[2-(3-fluorophenoxy)ethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M747-1492
1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-[2-(3-fluorophenoxy)ethyl]piperidine

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

M747-1492

Molecular Formula

C22H24FNO4 (C22 H24 FNO4)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-[2-(3-fluorophenoxy)ethyl]piperidine

IUPAC name

1-(23-dihydro-14-benzodioxine-2-carbonyl)-4-[2-(3-fluorophenoxy)ethyl]piperidine

SMILES

O=C(C1Oc(cccc2)c2OC1)N1CCC(CCOc2cccc(F)c2)CC1

InChI

InChI=1S/C22H24FNO4/c23-17-4-3-5-18(14-17)26-13-10-16-8-11-24(12-9-16)22(25)21-15-27-19-6-1-2-7-20(19)28-21/h1-7,14,16,21H,8-13,15H2/t21-/m0/s1

InChI Key

OKOAJEKXHYNPSU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29019426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.47

Polar Surface Area

39.470

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

M747-1492 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M747-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M747-1492?
Check Price and Availability of M747-1492, 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 M747-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M747-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M747-1492
  • 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 M747-1492 available by request