Y020-2740 Screening compound: methyl 6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-pyrazino[1,2-a]quinoline-5-carboxylate

Y020-2740 Screening compound: methyl 6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-pyrazino[1,2-a]quinoline-5-carboxylate
Y020-2740 Screening compound: methyl 6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-pyrazino[1,2-a]quinoline-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2740
methyl 6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-pyrazino[1,2-a]quinoline-5-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

Y020-2740

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

methyl 6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-pyrazino[1,2-a]quinoline-5-carboxylate

IUPAC name

methyl 6-[4-(methylsulfanyl)phenyl]-47-dioxo-1H2H3H4H6H7H8H9H10H-pyrazino[12-a]quinoline-5-carboxylate

SMILES

COC(C(C1c(cc2)ccc2SC)=C(C(NCC2)=O)N2C(CCC2)=C1C2=O)=O

InChI

InChI=1S/C21H22N2O4S/c1-27-21(26)18-16(12-6-8-13(28-2)9-7-12)17-14(4-3-5-15(17)24)23-11-10-22-20(25)19(18)23/h6-9,16H,3-5,10-11H2,1-2H3,(H,22,25)/t16-/m1/s1

InChI Key

MHANEJREYGMDDP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08576019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.84

Polar Surface Area

62.323

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y020-2740 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-2740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2740?
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What is the minimum amount of Y020-2740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2740
  • 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 Y020-2740 available by request