Y070-3208 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-3208 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-3208 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3208
N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-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

Y070-3208

Molecular Formula

C25H25N5O5 (C25 H25 N5 O5)

Compound Name

N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-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-7-(3-methoxypropyl)-11-methyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C1=NC(N2CCCOC)=C3C=C(C(NCc(cc4)cc5c4OCO5)=O)C2=N)=CC=CN1C3=O

InChI

InChI=1S/C25H25N5O5/c1-15-5-3-8-30-22(15)28-23-18(25(30)32)12-17(21(26)29(23)9-4-10-33-2)24(31)27-13-16-6-7-19-20(11-16)35-14-34-19/h3,5-8,11-12,26H,4,9-10,13-14H2,1-2H3,(H,27,31)

InChI Key

KTADDKVLWJDQEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04196798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.531

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-1.99

Polar Surface Area

93.411

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y070-3208 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y070-3208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3208?
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What is the minimum amount of Y070-3208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3208
  • 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 Y070-3208 available by request