M305-0070 Screening compound: N-benzyl-N-ethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]propanamide

M305-0070 Screening compound: N-benzyl-N-ethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]propanamide
M305-0070 Screening compound: N-benzyl-N-ethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M305-0070
N-benzyl-N-ethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-3-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

M305-0070

Molecular Formula

C24H32N2O3S (C24 H32 N2 O3 S)

Compound Name

N-benzyl-N-ethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]propanamide

IUPAC name

N-benzyl-N-ethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]propanamide

SMILES

CCN(Cc1ccccc1)C(CCC(CCC1)CN1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C24H32N2O3S/c1-3-25(18-21-8-5-4-6-9-21)24(27)16-13-22-10-7-17-26(19-22)30(28,29)23-14-11-20(2)12-15-23/h4-6,8-9,11-12,14-15,22H,3,7,10,13,16-19H2,1-2H3/t22-/m1/s1

InChI Key

DXIDXIJISYZHOG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD31993272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.11

Polar Surface Area

47.291

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

M305-0070 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 M305-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M305-0070?
Check Price and Availability of M305-0070, 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 M305-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M305-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M305-0070
  • 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 M305-0070 available by request