M617-1619 Screening compound: 10-oxo-11-[(pyridin-2-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,8,11-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8-tetraene-5-carboxamide

M617-1619 Screening compound: 10-oxo-11-[(pyridin-2-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,8,11-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8-tetraene-5-carboxamide
M617-1619 Screening compound: 10-oxo-11-[(pyridin-2-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,8,11-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8-tetraene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M617-1619
10-oxo-11-[(pyridin-2-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,8,11-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8-tetraene-5-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

M617-1619

Molecular Formula

C22H19N5O2S (C22 H19 N5 O2 S)

Compound Name

10-oxo-11-[(pyridin-2-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,8,11-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8-tetraene-5-carboxamide

IUPAC name

10-oxo-11-[(pyridin-2-yl)methyl]-N-[(thiophen-2-yl)methyl]-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCN(Cc1ncccc1)C1=O)c1n2)NCc1cccs1

InChI

InChI=1S/C22H19N5O2S/c28-21(24-13-17-5-3-11-30-17)15-6-7-19-18(12-15)25-20-22(29)26(9-10-27(19)20)14-16-4-1-2-8-23-16/h1-8,11-12H,9-10,13-14H2,(H,24,28)

InChI Key

KAWDKTGQUQJIPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.91

Polar Surface Area

61.858

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M617-1619 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M617-1619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-1619?
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What is the minimum amount of M617-1619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M617-1619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M617-1619
  • 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 M617-1619 available by request