L104-0103 Screening compound: 5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L104-0103 Screening compound: 5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L104-0103 Screening compound: 5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0103
5-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7-phenyl-3-propyl-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

L104-0103

Molecular Formula

C23H28N4O2S (C23 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C1=O)C(SCC(N2CCCCC2)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C23H28N4O2S/c1-3-12-27-22(29)21-20(18(15-25(21)2)17-10-6-4-7-11-17)24-23(27)30-16-19(28)26-13-8-5-9-14-26/h4,6-7,10-11,15H,3,5,8-9,12-14,16H2,1-2H3

InChI Key

XKODUSHJKDWJQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.58

Polar Surface Area

42.587

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

L104-0103 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L104-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0103?
Check Price and Availability of L104-0103, 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 L104-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0103
  • 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 L104-0103 available by request