M652-0076 Screening compound: N~1~-(4-chlorobenzyl)-2-[6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide

M652-0076 Screening compound: N~1~-(4-chlorobenzyl)-2-[6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetamide
M652-0076 Screening compound: N~1~-(4-chlorobenzyl)-2-[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 M652-0076
N~1~-(4-chlorobenzyl)-2-[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

M652-0076

Molecular Formula

C17H13ClN6O2 (C17 H13 ClN6 O2)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{7-oxo-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}acetamide

SMILES

O=C(CN(c1c(-n2c3nnc2)nccc1)C3=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C17H13ClN6O2/c18-12-5-3-11(4-6-12)8-20-14(25)9-23-13-2-1-7-19-15(13)24-10-21-22-16(24)17(23)26/h1-7,10H,8-9H2,(H,20,25)

InChI Key

YZGREXWJTCWPSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.78

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

1.083

Distribution Coefficient, logD

1.079

Water Solubility, LogSw

-2.51

Polar Surface Area

74.625

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

M652-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
  • 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 M652-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0076?
Check Price and Availability of M652-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M652-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0076
  • 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 M652-0076 available by request