L858-5299 Screening compound: 3-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-7-(3,4-dimethylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

L858-5299 Screening compound: 3-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-7-(3,4-dimethylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
L858-5299 Screening compound: 3-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-7-(3,4-dimethylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-5299
3-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-7-(3,4-dimethylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-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

L858-5299

Molecular Formula

C28H24N4O2S (C28 H24 N4 O2 S)

Compound Name

3-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-7-(3,4-dimethylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

11-(34-dimethylphenyl)-5-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

Cc(cc1)c(C)cc1-c1ccc(c(N=CN(CC(N(CCC2)c3c2cccc3)=O)C2=O)c2s2)c2n1

InChI

InChI=1S/C28H24N4O2S/c1-17-9-10-20(14-18(17)2)22-12-11-21-25-26(35-27(21)30-22)28(34)31(16-29-25)15-24(33)32-13-5-7-19-6-3-4-8-23(19)32/h3-4,6,8-12,14,16H,5,7,13,15H2,1-2H3

InChI Key

XFOCGEPSOILPST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.598

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-5.44

Polar Surface Area

48.593

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

L858-5299 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L858-5299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-5299?
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What is the minimum amount of L858-5299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-5299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-5299
  • 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 L858-5299 available by request