L460-0083 Screening compound: 3-ethyl-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

L460-0083 Screening compound: 3-ethyl-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
L460-0083 Screening compound: 3-ethyl-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L460-0083
3-ethyl-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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

L460-0083

Molecular Formula

C22H17F3N2OS2 (C22 H17 F3 N2 OS2)

Compound Name

3-ethyl-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-ethyl-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCN(C1=O)C(SCc2cc(C(F)(F)F)ccc2)=Nc2c1sc(-c1ccccc1)c2

InChI

InChI=1S/C22H17F3N2OS2/c1-2-27-20(28)19-17(12-18(30-19)15-8-4-3-5-9-15)26-21(27)29-13-14-7-6-10-16(11-14)22(23,24)25/h3-12H,2,13H2,1H3

InChI Key

MVIMYIAVLQNZFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.234

Distribution Coefficient, logD

6.234

Water Solubility, LogSw

-5.61

Polar Surface Area

26.514

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L460-0083 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 L460-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L460-0083?
Check Price and Availability of L460-0083, 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 L460-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L460-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L460-0083
  • 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 L460-0083 available by request