Y070-2456 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-2456 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-2456 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2456
N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

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

Y070-2456

Molecular Formula

C25H25N5O4 (C25 H25 N5 O4)

Compound Name

N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-pentyl-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CCCCCN(C(C(C(NCc(cc1)cc2c1OCO2)=O)=C1)=N)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C25H25N5O4/c1-2-3-5-11-30-22(26)17(13-18-23(30)28-21-7-4-6-10-29(21)25(18)32)24(31)27-14-16-8-9-19-20(12-16)34-15-33-19/h4,6-10,12-13,26H,2-3,5,11,14-15H2,1H3,(H,27,31)

InChI Key

JOGSPHQXRMPPAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04025369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.22

Polar Surface Area

86.048

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y070-2456 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y070-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2456?
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What is the minimum amount of Y070-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2456
  • 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 Y070-2456 available by request