L105-0198 Screening compound: 5-methyl-3-(3-methylbutyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L105-0198 Screening compound: 5-methyl-3-(3-methylbutyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L105-0198 Screening compound: 5-methyl-3-(3-methylbutyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0198
5-methyl-3-(3-methylbutyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[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

L105-0198

Molecular Formula

C27H27N5O2S (C27 H27 N5 O2 S)

Compound Name

5-methyl-3-(3-methylbutyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

IUPAC name

5-methyl-3-(3-methylbutyl)-2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

CC(C)CCN(C1=O)C(SCC(N=C2N3C=CC=C2)=CC3=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C27H27N5O2S/c1-18(2)12-14-32-26(34)25-24(21(16-30(25)3)19-9-5-4-6-10-19)29-27(32)35-17-20-15-23(33)31-13-8-7-11-22(31)28-20/h4-11,13,15-16,18H,12,14,17H2,1-3H3

InChI Key

LBCLIXKHAQWXDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.11

Polar Surface Area

52.181

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L105-0198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L105-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0198?
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What is the minimum amount of L105-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0198
  • 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 L105-0198 available by request