M617-1289 Screening compound: 2-cyclohexyl-1-oxo-N~8~-[1-(2-thienyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound M617-1289
2-cyclohexyl-1-oxo-N~8~-[1-(2-thienyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M617-1289

Molecular Formula

C₂₄H₂₈N₄O₂S (C24 H28 N4 O2 S)

Compound Name

2-cyclohexyl-1-oxo-N~8~-[1-(2-thienyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-8-carboxamide

IUPAC name

11-cyclohexyl-10-oxo-N-[1-(thiophen-2-yl)propyl]-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-5-carboxamide

SMILES

CCC(c1cccs1)NC(c(cc1)cc2c1n(CCN(C1CCCCC1)C1=O)c1n2)=O

InChI

InChI=1S/C24H28N4O2S/c1-2-18(21-9-6-14-31-21)26-23(29)16-10-11-20-19(15-16)25-22-24(30)27(12-13-28(20)22)17-7-4-3-5-8-17/h6,9-11,14-15,17-18H,2-5,7-8,12-13H2,1H3,(H,26,29)/t18-/m0/s1

InChI Key

WEXGCRJUZXNHGC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27549182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.18

Polar Surface Area

51.332

Acid Dissociation Constant (pK_a)

12.93

Base Dissociation Constant (pK_b)

1.31

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

45.80

M617-1289 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal
Cancer
Digestive system
Hemic and lymphatic
Skin
Metabolic
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic

Targets:

Kinases
GPCR
Kinases

Mechanism of action:

Receptor's ligands
PPI modulators
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with M617-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M617-1289?
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What is the minimum amount of M617-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for M617-1289
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for M617-1289

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 M617-1289 available by request