L104-0661 Screening compound: methyl 2-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

L104-0661 Screening compound: methyl 2-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
L104-0661 Screening compound: methyl 2-(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 L104-0661
methyl 2-(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

L104-0661

Molecular Formula

C26H26N4O5S (C26 H26 N4 O5 S)

Compound Name

methyl 2-(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 2-(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(cccc1)c1C(OC)=O)=O

InChI

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

InChI Key

XAAMSANLSPTMAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232438

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

3.131

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.45

Polar Surface Area

78.163

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L104-0661 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 L104-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0661?
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What is the minimum amount of L104-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0661
  • 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 L104-0661 available by request