M652-1152 Screening compound: 2-[9-ethyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)acetamide

M652-1152 Screening compound: 2-[9-ethyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)acetamide
M652-1152 Screening compound: 2-[9-ethyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-1152
2-[9-ethyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)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

M652-1152

Molecular Formula

C17H16N6O2S (C17 H16 N6 O2 S)

Compound Name

2-[9-ethyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-(2-thienylmethyl)acetamide

IUPAC name

2-{3-ethyl-7-oxo-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CCc1nnc2n1-c(nccc1)c1N(CC(NCc1cccs1)=O)C2=O

InChI

InChI=1S/C17H16N6O2S/c1-2-13-20-21-16-17(25)22(12-6-3-7-18-15(12)23(13)16)10-14(24)19-9-11-5-4-8-26-11/h3-8H,2,9-10H2,1H3,(H,19,24)

InChI Key

DRRJPXAMEDAUAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.015

Distribution Coefficient, logD

1.014

Water Solubility, LogSw

-2.34

Polar Surface Area

76.169

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M652-1152 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with M652-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-1152?
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What is the minimum amount of M652-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-1152
  • 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 M652-1152 available by request