M652-0593 Screening compound: methyl 3-({2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}amino)benzoate

M652-0593 Screening compound: methyl 3-({2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}amino)benzoate
M652-0593 Screening compound: methyl 3-({2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0593
methyl 3-({2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}amino)benzoate

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

M652-0593

Molecular Formula

C19H16N6O4 (C19 H16 N6 O4)

Compound Name

methyl 3-({2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}amino)benzoate

IUPAC name

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

SMILES

Cc1nnc2n1-c(nccc1)c1N(CC(Nc1cc(C(OC)=O)ccc1)=O)C2=O

InChI

InChI=1S/C19H16N6O4/c1-11-22-23-17-18(27)24(14-7-4-8-20-16(14)25(11)17)10-15(26)21-13-6-3-5-12(9-13)19(28)29-2/h3-9H,10H2,1-2H3,(H,21,26)

InChI Key

UVFFTYZUHBSXFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.991

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-2.03

Polar Surface Area

94.803

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M652-0593 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 M652-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0593?
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What is the minimum amount of M652-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0593
  • 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 M652-0593 available by request