Y070-2078 Screening compound: ethyl 1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

Y070-2078 Screening compound: ethyl 1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
Y070-2078 Screening compound: ethyl 1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2078
ethyl 1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

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

Y070-2078

Molecular Formula

C21H17FN4O3 (C21 H17 FN4 O3)

Compound Name

ethyl 1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

IUPAC name

ethyl 7-[(4-fluorophenyl)methyl]-6-imino-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(C(N1Cc(cc2)ccc2F)=N)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C21H17FN4O3/c1-2-29-21(28)15-11-16-19(24-17-5-3-4-10-25(17)20(16)27)26(18(15)23)12-13-6-8-14(22)9-7-13/h3-11,23H,2,12H2,1H3

InChI Key

RYAJRZXXVDWTIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.372

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-2.73

Polar Surface Area

65.023

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y070-2078 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2078?
Check Price and Availability of Y070-2078, 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 Y070-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2078
  • 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 Y070-2078 available by request