L460-0039 Screening compound: 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

L460-0039 Screening compound: 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
L460-0039 Screening compound: 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L460-0039
2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-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

L460-0039

Molecular Formula

C24H20N4O4S2 (C24 H20 N4 O4 S2)

Compound Name

2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-({[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-6-phenyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CN(C1=O)C(SCc2nc(-c(cc3)cc(OC)c3OC)no2)=Nc2c1sc(-c1ccccc1)c2

InChI

InChI=1S/C24H20N4O4S2/c1-28-23(29)21-16(12-19(34-21)14-7-5-4-6-8-14)25-24(28)33-13-20-26-22(27-32-20)15-9-10-17(30-2)18(11-15)31-3/h4-12H,13H2,1-3H3

InChI Key

VHUOGMMPLSWNKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.096

Water Solubility, LogSw

-4.97

Polar Surface Area

73.159

Acid Dissociation Constant (pKa)

32.43

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L460-0039 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with L460-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L460-0039?
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What is the minimum amount of L460-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L460-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L460-0039
  • 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 L460-0039 available by request