L858-3209 Screening compound: 2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

L858-3209 Screening compound: 2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide
L858-3209 Screening compound: 2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-3209
2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]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

L858-3209

Molecular Formula

C25H20N4O2S2 (C25 H20 N4 O2 S2)

Compound Name

2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{4-methyl-6-oxo-11-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CC(N(CC(Nc1cc(SC)ccc1)=O)C1=O)=Nc2c1sc1nc(-c3ccccc3)ccc12

InChI

InChI=1S/C25H20N4O2S2/c1-15-26-22-19-11-12-20(16-7-4-3-5-8-16)28-24(19)33-23(22)25(31)29(15)14-21(30)27-17-9-6-10-18(13-17)32-2/h3-13H,14H2,1-2H3,(H,27,30)

InChI Key

GMXZZHRKEDBLSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-5.48

Polar Surface Area

54.732

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L858-3209 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L858-3209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-3209?
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What is the minimum amount of L858-3209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-3209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-3209
  • 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 L858-3209 available by request