L460-0085 Screening compound: 3-ethyl-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

L460-0085 Screening compound: 3-ethyl-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
L460-0085 Screening compound: 3-ethyl-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L460-0085
3-ethyl-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

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

L460-0085

Molecular Formula

C23H18N4O2S2 (C23 H18 N4 O2 S2)

Compound Name

3-ethyl-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-ethyl-2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-6-phenyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCN(C1=O)C(SCC(N=C2N3C=CC=C2)=CC3=O)=Nc2c1sc(-c1ccccc1)c2

InChI

InChI=1S/C23H18N4O2S2/c1-2-26-22(29)21-17(13-18(31-21)15-8-4-3-5-9-15)25-23(26)30-14-16-12-20(28)27-11-7-6-10-19(27)24-16/h3-13H,2,14H2,1H3

InChI Key

WDBDMCLQQFEVLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.05

Polar Surface Area

52.501

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L460-0085 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L460-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L460-0085?
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What is the minimum amount of L460-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L460-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L460-0085
  • 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 L460-0085 available by request