CM3338-0505 Screening compound: N-(1-METHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINYL)-2-[1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDYL]ACETAMIDE

CM3338-0505 Screening compound: N-(1-METHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINYL)-2-[1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDYL]ACETAMIDE
CM3338-0505 Screening compound: N-(1-METHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINYL)-2-[1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3338-0505
N-(1-METHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINYL)-2-[1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDYL]ACETAMIDE

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

CM3338-0505

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

N-(1-METHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINYL)-2-[1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDYL]ACETAMIDE

IUPAC name

n/a

SMILES

CN(CCC1)c2c1ccc(NC(CC(CCC1)CN1C(C=NN1)=CC1=O)=O)c2

InChI

InChI=1S/C21H27N5O2/c1-25-8-3-5-16-6-7-17(11-19(16)25)23-20(27)10-15-4-2-9-26(14-15)18-12-21(28)24-22-13-18/h6-7,11-13,15H,2-5,8-10,14H2,1H3,(H,23,27)(H,24,28)/t15-/m1/s1

InChI Key

NDYYEFDMRXEDOA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30467174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.428

Water Solubility, LogSw

-3.03

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

CM3338-0505 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM3338-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3338-0505?
Check Price and Availability of CM3338-0505, 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 CM3338-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3338-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3338-0505
  • 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 CM3338-0505 available by request