M652-0068 Screening compound: 5-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

M652-0068 Screening compound: 5-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one
M652-0068 Screening compound: 5-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0068
5-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

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

M652-0068

Molecular Formula

C20H18FN7O2 (C20 H18 FN7 O2)

Compound Name

5-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

IUPAC name

8-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-one

SMILES

O=C(CN(c1c(-n2c3nnc2)nccc1)C3=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C20H18FN7O2/c21-14-4-1-2-5-15(14)25-8-10-26(11-9-25)17(29)12-27-16-6-3-7-22-18(16)28-13-23-24-19(28)20(27)30/h1-7,13H,8-12H2

InChI Key

KMPMBKMSBOXWAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.653

Distribution Coefficient, logD

0.649

Water Solubility, LogSw

-1.25

Polar Surface Area

69.506

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M652-0068 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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:
  • Nervous 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 M652-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0068?
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What is the minimum amount of M652-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0068
  • 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 M652-0068 available by request