Y070-2994 Screening compound: N~3~-(4-fluorobenzyl)-2-imino-1-(4-methoxyphenethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-2994 Screening compound: N~3~-(4-fluorobenzyl)-2-imino-1-(4-methoxyphenethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-2994 Screening compound: N~3~-(4-fluorobenzyl)-2-imino-1-(4-methoxyphenethyl)-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 Y070-2994
N~3~-(4-fluorobenzyl)-2-imino-1-(4-methoxyphenethyl)-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

Y070-2994

Molecular Formula

C28H24FN5O3 (C28 H24 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CCN(C(C(C(NCc(cc2)ccc2F)=O)=C2)=N)C(N=C3N4C=CC=C3)=C2C4=O)cc1

InChI

InChI=1S/C28H24FN5O3/c1-37-21-11-7-18(8-12-21)13-15-34-25(30)22(27(35)31-17-19-5-9-20(29)10-6-19)16-23-26(34)32-24-4-2-3-14-33(24)28(23)36/h2-12,14,16,30H,13,15,17H2,1H3,(H,31,35)

InChI Key

AFGJTLWQGWNLQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-3.41

Polar Surface Area

76.205

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y070-2994 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y070-2994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2994?
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What is the minimum amount of Y070-2994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2994
  • 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 Y070-2994 available by request