L459-0281 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

L459-0281 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
L459-0281 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L459-0281
N-(4-chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

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

L459-0281

Molecular Formula

C24H22ClN3O3S2 (C24 H22 ClN3 O3 S2)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-6-phenyl-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

CCN(C1=O)C(SCC(Nc(c(OC)c2)cc(C)c2Cl)=O)=Nc2c1sc(-c1ccccc1)c2

InChI

InChI=1S/C24H22ClN3O3S2/c1-4-28-23(30)22-18(12-20(33-22)15-8-6-5-7-9-15)27-24(28)32-13-21(29)26-17-10-14(2)16(25)11-19(17)31-3/h5-12H,4,13H2,1-3H3,(H,26,29)

InChI Key

QLYVWPTYBSBLRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.826

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-5.94

Polar Surface Area

56.596

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L459-0281 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 L459-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L459-0281?
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What is the minimum amount of L459-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L459-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L459-0281
  • 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 L459-0281 available by request