M145-0002 Screening compound: N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

M145-0002 Screening compound: N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide
M145-0002 Screening compound: N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M145-0002
N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-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

M145-0002

Molecular Formula

C22H24F3N5O2S (C22 H24 F3 N5 O2 S)

Compound Name

N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

IUPAC name

N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

SMILES

O=C(CSc(cc1)nnc1N(CCC1)CC1C(NC1CC1)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H24F3N5O2S/c23-22(24,25)15-4-1-5-17(11-15)26-19(31)13-33-20-9-8-18(28-29-20)30-10-2-3-14(12-30)21(32)27-16-6-7-16/h1,4-5,8-9,11,14,16H,2-3,6-7,10,12-13H2,(H,26,31)(H,27,32)/t14-/m0/s1

InChI Key

BBIMVLJHBRHAFK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27532473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.74

Polar Surface Area

71.539

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

M145-0002 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M145-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M145-0002?
Check Price and Availability of M145-0002, 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 M145-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M145-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M145-0002
  • 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 M145-0002 available by request