M305-2131 Screening compound: 3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

M305-2131 Screening compound: 3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
M305-2131 Screening compound: 3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M305-2131
3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-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

M305-2131

Molecular Formula

C24H30N2O3S (C24 H30 N2 O3 S)

Compound Name

3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

IUPAC name

3-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

Cc(cc1)ccc1S(N1CC(CCC(N(CC2)Cc3c2cccc3)=O)CCC1)(=O)=O

InChI

InChI=1S/C24H30N2O3S/c1-19-8-11-23(12-9-19)30(28,29)26-15-4-5-20(17-26)10-13-24(27)25-16-14-21-6-2-3-7-22(21)18-25/h2-3,6-9,11-12,20H,4-5,10,13-18H2,1H3

InChI Key

QSNMFGAQIJBNLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.11

Polar Surface Area

47.666

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

M305-2131 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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 M305-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M305-2131?
Check Price and Availability of M305-2131, 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 M305-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M305-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M305-2131
  • 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 M305-2131 available by request