L104-0714 Screening compound: 3-(2-methoxyethyl)-5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L104-0714 Screening compound: 3-(2-methoxyethyl)-5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L104-0714 Screening compound: 3-(2-methoxyethyl)-5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0714
3-(2-methoxyethyl)-5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]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

L104-0714

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

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

IUPAC name

3-(2-methoxyethyl)-5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

Cn(cc1-c2ccccc2)c(C(N2CCOC)=O)c1N=C2SCC(N1CCCCC1)=O

InChI

InChI=1S/C23H28N4O3S/c1-25-15-18(17-9-5-3-6-10-17)20-21(25)22(29)27(13-14-30-2)23(24-20)31-16-19(28)26-11-7-4-8-12-26/h3,5-6,9-10,15H,4,7-8,11-14,16H2,1-2H3

InChI Key

USEIMSBDFAAFCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-2.86

Polar Surface Area

50.930

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

L104-0714 in Drug Discovery

Included in Screening Libraries

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

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 L104-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0714?
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What is the minimum amount of L104-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0714
  • 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 L104-0714 available by request