L104-0061 Screening compound: N-(5-fluoro-2-methylphenyl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

L104-0061 Screening compound: N-(5-fluoro-2-methylphenyl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
L104-0061 Screening compound: N-(5-fluoro-2-methylphenyl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0061
N-(5-fluoro-2-methylphenyl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-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

L104-0061

Molecular Formula

C25H25FN4O2S (C25 H25 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C1=O)C(SCC(Nc2c(C)ccc(F)c2)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C25H25FN4O2S/c1-4-12-30-24(32)23-22(19(14-29(23)3)17-8-6-5-7-9-17)28-25(30)33-15-21(31)27-20-13-18(26)11-10-16(20)2/h5-11,13-14H,4,12,15H2,1-3H3,(H,27,31)

InChI Key

BRWDXWWKRJFKQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.08

Polar Surface Area

48.646

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L104-0061 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 L104-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0061?
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What is the minimum amount of L104-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0061
  • 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 L104-0061 available by request