Y070-3287 Screening compound: 1-(2-chlorobenzyl)-N~3~-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-3287 Screening compound: 1-(2-chlorobenzyl)-N~3~-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-3287 Screening compound: 1-(2-chlorobenzyl)-N~3~-cyclopentyl-2-imino-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 Y070-3287
1-(2-chlorobenzyl)-N~3~-cyclopentyl-2-imino-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

Y070-3287

Molecular Formula

C24H22ClN5O2 (C24 H22 ClN5 O2)

Compound Name

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

IUPAC name

7-[(2-chlorophenyl)methyl]-N-cyclopentyl-6-imino-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

N=C(C(C(NC1CCCC1)=O)=C1)N(Cc(cccc2)c2Cl)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C24H22ClN5O2/c25-19-10-4-1-7-15(19)14-30-21(26)17(23(31)27-16-8-2-3-9-16)13-18-22(30)28-20-11-5-6-12-29(20)24(18)32/h1,4-7,10-13,16,26H,2-3,8-9,14H2,(H,27,31)

InChI Key

FTUZTBGSPJBHTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05702304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.70

Polar Surface Area

68.774

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y070-3287 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-3287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3287?
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What is the minimum amount of Y070-3287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3287
  • 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 Y070-3287 available by request