Y040-1955 Screening compound: 5-ethoxy-1-methyl-6-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone

Y040-1955 Screening compound: 5-ethoxy-1-methyl-6-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone
Y040-1955 Screening compound: 5-ethoxy-1-methyl-6-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1955
5-ethoxy-1-methyl-6-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone

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

Y040-1955

Molecular Formula

C27H24N2O5 (C27 H24 N2 O5)

Compound Name

5-ethoxy-1-methyl-6-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone

IUPAC name

5-ethoxy-1-methyl-6-[({6-oxo-6H-benzo[c]chromen-3-yl}oxy)methyl]-4-phenyl-1234-tetrahydropyrimidin-2-one

SMILES

CCOC(C(c1ccccc1)N1)=C(COc(cc2)cc(O3)c2-c(cccc2)c2C3=O)N(C)C1=O

InChI

InChI=1S/C27H24N2O5/c1-3-32-25-22(29(2)27(31)28-24(25)17-9-5-4-6-10-17)16-33-18-13-14-20-19-11-7-8-12-21(19)26(30)34-23(20)15-18/h4-15,24H,3,16H2,1-2H3,(H,28,31)/t24-/m1/s1

InChI Key

QRNCVNRTIYGTDT-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01546462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-5.18

Polar Surface Area

63.355

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

Y040-1955 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1955?
Check Price and Availability of Y040-1955, 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 Y040-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1955
  • 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 Y040-1955 available by request