M652-0544 Screening compound: N~1~-(4-fluorobenzyl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide

M652-0544 Screening compound: N~1~-(4-fluorobenzyl)-2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide
M652-0544 Screening compound: N~1~-(4-fluorobenzyl)-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 M652-0544
N~1~-(4-fluorobenzyl)-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

M652-0544

Molecular Formula

C18H15FN6O2 (C18 H15 FN6 O2)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)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)ccc1F)=O)C2=O

InChI

InChI=1S/C18H15FN6O2/c1-11-22-23-17-18(27)24(14-3-2-8-20-16(14)25(11)17)10-15(26)21-9-12-4-6-13(19)7-5-12/h2-8H,9-10H2,1H3,(H,21,26)

InChI Key

LTEAJUUWFDGDQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.326

Distribution Coefficient, logD

0.326

Water Solubility, LogSw

-1.73

Polar Surface Area

74.951

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M652-0544 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 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
  • 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 M652-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0544?
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What is the minimum amount of M652-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0544
  • 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 M652-0544 available by request