M652-0649 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide

M652-0649 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide
M652-0649 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-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 M652-0649
N~1~-(1,3-benzodioxol-5-ylmethyl)-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

M652-0649

Molecular Formula

C19H16N6O4 (C19 H16 N6 O4)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-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(NCc(cc1)cc3c1OCO3)=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)9-16(26)21-8-12-4-5-14-15(7-12)29-10-28-14/h2-7H,8-10H2,1H3,(H,21,26)

InChI Key

WHRVGFVTKIIXMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550131

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

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.210

Distribution Coefficient, logD

0.210

Water Solubility, LogSw

-1.85

Polar Surface Area

92.066

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M652-0649 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M652-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0649?
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What is the minimum amount of M652-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0649
  • 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 M652-0649 available by request