L459-0201 Screening compound: 3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

L459-0201 Screening compound: 3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
L459-0201 Screening compound: 3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L459-0201
3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]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

L459-0201

Molecular Formula

C20H21N3O2S2 (C20 H21 N3 O2 S2)

Compound Name

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

IUPAC name

3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-phenyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCN(C1=O)C(SCC(N2CCCC2)=O)=Nc2c1sc(-c1ccccc1)c2

InChI

InChI=1S/C20H21N3O2S2/c1-2-23-19(25)18-15(12-16(27-18)14-8-4-3-5-9-14)21-20(23)26-13-17(24)22-10-6-7-11-22/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3

InChI Key

LMQZINUKKTVLON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-3.85

Polar Surface Area

43.273

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L459-0201 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L459-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L459-0201?
Check Price and Availability of L459-0201, 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 L459-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L459-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L459-0201
  • 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 L459-0201 available by request