M652-0486 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide

M652-0486 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide
M652-0486 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0486
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]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

M652-0486

Molecular Formula

C19H16N6O4 (C19 H16 N6 O4)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{3-methyl-7-oxo-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}acetamide

SMILES

Cc1nnc2n1-c(nccc1)c1N(CC(Nc(cc1)cc3c1OCCO3)=O)C2=O

InChI

InChI=1S/C19H16N6O4/c1-11-22-23-18-19(27)24(13-3-2-6-20-17(13)25(11)18)10-16(26)21-12-4-5-14-15(9-12)29-8-7-28-14/h2-6,9H,7-8,10H2,1H3,(H,21,26)

InChI Key

URDVYNDXSRMJDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.308

Distribution Coefficient, logD

-0.309

Water Solubility, LogSw

-1.87

Polar Surface Area

89.452

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M652-0486 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M652-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0486?
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What is the minimum amount of M652-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0486
  • 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 M652-0486 available by request