M145-0306 Screening compound: 1-{6-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-N-propylpiperidine-3-carboxamide

M145-0306 Screening compound: 1-{6-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-N-propylpiperidine-3-carboxamide
M145-0306 Screening compound: 1-{6-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-N-propylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M145-0306
1-{6-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-N-propylpiperidine-3-carboxamide

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

M145-0306

Molecular Formula

C23H29N5O4S (C23 H29 N5 O4 S)

Compound Name

1-{6-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-N-propylpiperidine-3-carboxamide

IUPAC name

1-{6-[({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-N-propylpiperidine-3-carboxamide

SMILES

CCCNC(C(CCC1)CN1c(cc1)nnc1SCC(NCc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C23H29N5O4S/c1-2-9-24-23(30)17-4-3-10-28(13-17)20-7-8-22(27-26-20)33-14-21(29)25-12-16-5-6-18-19(11-16)32-15-31-18/h5-8,11,17H,2-4,9-10,12-15H2,1H3,(H,24,30)(H,25,29)/t17-/m0/s1

InChI Key

FLXBFFLNJBRCTD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27532599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.313

Distribution Coefficient, logD

2.313

Water Solubility, LogSw

-2.85

Polar Surface Area

90.034

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

M145-0306 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with M145-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M145-0306?
Check Price and Availability of M145-0306, 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 M145-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M145-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M145-0306
  • 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 M145-0306 available by request