L459-0181 Screening compound: N-(4-fluorophenyl)-N-methyl-2-({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

L459-0181 Screening compound: N-(4-fluorophenyl)-N-methyl-2-({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
L459-0181 Screening compound: N-(4-fluorophenyl)-N-methyl-2-({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L459-0181
N-(4-fluorophenyl)-N-methyl-2-({3-methyl-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

L459-0181

Molecular Formula

C22H18FN3O2S2 (C22 H18 FN3 O2 S2)

Compound Name

N-(4-fluorophenyl)-N-methyl-2-({3-methyl-4-oxo-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-fluorophenyl)-N-methyl-2-({3-methyl-4-oxo-6-phenyl-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

CN(C(CSC(N(C)C1=O)=Nc2c1sc(-c1ccccc1)c2)=O)c(cc1)ccc1F

InChI

InChI=1S/C22H18FN3O2S2/c1-25(16-10-8-15(23)9-11-16)19(27)13-29-22-24-17-12-18(14-6-4-3-5-7-14)30-20(17)21(28)26(22)2/h3-12H,13H2,1-2H3

InChI Key

PVYNCWQHOANVPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.53

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

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-3.97

Polar Surface Area

41.668

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L459-0181 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Kinases Inhibitors Library (36801 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 L459-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L459-0181?
Check Price and Availability of L459-0181, 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 L459-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L459-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L459-0181
  • 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 L459-0181 available by request