L104-0688 Screening compound: N-(2-methoxy-5-methylphenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

L104-0688 Screening compound: N-(2-methoxy-5-methylphenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
L104-0688 Screening compound: N-(2-methoxy-5-methylphenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0688
N-(2-methoxy-5-methylphenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}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

L104-0688

Molecular Formula

C26H28N4O4S (C26 H28 N4 O4 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)cc(NC(CSC(N(CCOC)C2=O)=Nc3c2n(C)cc3-c2ccccc2)=O)c1OC

InChI

InChI=1S/C26H28N4O4S/c1-17-10-11-21(34-4)20(14-17)27-22(31)16-35-26-28-23-19(18-8-6-5-7-9-18)15-29(2)24(23)25(32)30(26)12-13-33-3/h5-11,14-15H,12-13,16H2,1-4H3,(H,27,31)

InChI Key

CTOHPEBFGUAABL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.49

Polar Surface Area

64.619

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L104-0688 in Drug Discovery

Included in Screening Libraries

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 L104-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0688?
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What is the minimum amount of L104-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0688
  • 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 L104-0688 available by request