L104-0659 Screening compound: methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

L104-0659 Screening compound: methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
L104-0659 Screening compound: methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0659
methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

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

L104-0659

Molecular Formula

C26H26N4O5S (C26 H26 N4 O5 S)

Compound Name

methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

Cn(cc1-c2ccccc2)c(C(N2CCOC)=O)c1N=C2SCC(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C26H26N4O5S/c1-29-15-20(17-7-5-4-6-8-17)22-23(29)24(32)30(13-14-34-2)26(28-22)36-16-21(31)27-19-11-9-18(10-12-19)25(33)35-3/h4-12,15H,13-14,16H2,1-3H3,(H,27,31)

InChI Key

OUMZOIVFQXCBFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.66

Polar Surface Area

78.860

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L104-0659 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 L104-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0659?
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What is the minimum amount of L104-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0659
  • 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 L104-0659 available by request