M305-1176 Screening compound: 3-[1-(2-fluorobenzenesulfonyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

M305-1176 Screening compound: 3-[1-(2-fluorobenzenesulfonyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
M305-1176 Screening compound: 3-[1-(2-fluorobenzenesulfonyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M305-1176
3-[1-(2-fluorobenzenesulfonyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]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

M305-1176

Molecular Formula

C22H27FN2O4S (C22 H27 FN2 O4 S)

Compound Name

3-[1-(2-fluorobenzenesulfonyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

IUPAC name

3-[1-(2-fluorobenzenesulfonyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

SMILES

COc1c(CNC(CCC(CCC2)CN2S(c(cccc2)c2F)(=O)=O)=O)cccc1

InChI

InChI=1S/C22H27FN2O4S/c1-29-20-10-4-2-8-18(20)15-24-22(26)13-12-17-7-6-14-25(16-17)30(27,28)21-11-5-3-9-19(21)23/h2-5,8-11,17H,6-7,12-16H2,1H3,(H,24,26)/t17-/m1/s1

InChI Key

IZXILFAQEWZATI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28994079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.83

Polar Surface Area

63.713

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

M305-1176 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M305-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M305-1176?
Check Price and Availability of M305-1176, 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 M305-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M305-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M305-1176
  • 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 M305-1176 available by request