L460-0018 Screening compound: 1-{4-[({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]phenyl}pyrrolidin-2-one

L460-0018 Screening compound: 1-{4-[({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]phenyl}pyrrolidin-2-one
L460-0018 Screening compound: 1-{4-[({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]phenyl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L460-0018
1-{4-[({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]phenyl}pyrrolidin-2-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

L460-0018

Molecular Formula

C24H21N3O2S2 (C24 H21 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)C(SCc(cc2)ccc2N(CCC2)C2=O)=Nc2c1sc(-c1ccccc1)c2

InChI

InChI=1S/C24H21N3O2S2/c1-26-23(29)22-19(14-20(31-22)17-6-3-2-4-7-17)25-24(26)30-15-16-9-11-18(12-10-16)27-13-5-8-21(27)28/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3

InChI Key

HWKNABILCZBFOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.26

Polar Surface Area

43.372

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L460-0018 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with L460-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L460-0018?
Check Price and Availability of L460-0018, 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 L460-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L460-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L460-0018
  • 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 L460-0018 available by request