Y070-3152 Screening compound: N~3~,1-bis(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-3152 Screening compound: N~3~,1-bis(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-3152 Screening compound: N~3~,1-bis(4-fluorobenzyl)-2-imino-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 Y070-3152
N~3~,1-bis(4-fluorobenzyl)-2-imino-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

Y070-3152

Molecular Formula

C27H21F2N5O2 (C27 H21 F2 N5 O2)

Compound Name

N~3~,1-bis(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N7-bis[(4-fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C1=NC(N2Cc(cc3)ccc3F)=C3C=C(C(NCc(cc4)ccc4F)=O)C2=N)=CC=CN1C3=O

InChI

InChI=1S/C27H21F2N5O2/c1-16-3-2-12-33-24(16)32-25-22(27(33)36)13-21(26(35)31-14-17-4-8-19(28)9-5-17)23(30)34(25)15-18-6-10-20(29)11-7-18/h2-13,30H,14-15H2,1H3,(H,31,35)

InChI Key

VDAKYGSZMPGTIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04159841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.19

Polar Surface Area

67.703

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y070-3152 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y070-3152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3152?
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What is the minimum amount of Y070-3152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3152
  • 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 Y070-3152 available by request