L460-0013 Screening compound: 3-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

L460-0013 Screening compound: 3-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
L460-0013 Screening compound: 3-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L460-0013
3-methyl-2-{[(4-methylphenyl)methyl]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

L460-0013

Molecular Formula

C21H18N2OS2 (C21 H18 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSC(N(C)C2=O)=Nc3c2sc(-c2ccccc2)c3)cc1

InChI

InChI=1S/C21H18N2OS2/c1-14-8-10-15(11-9-14)13-25-21-22-17-12-18(16-6-4-3-5-7-16)26-19(17)20(24)23(21)2/h3-12H,13H2,1-2H3

InChI Key

NZIBZYULYPVPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-4.74

Polar Surface Area

26.555

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L460-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L460-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L460-0013?
Check Price and Availability of L460-0013, 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 L460-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L460-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L460-0013
  • 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 L460-0013 available by request