L104-0352 Screening compound: N-(4-methoxyphenyl)-2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

L104-0352 Screening compound: N-(4-methoxyphenyl)-2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
L104-0352 Screening compound: N-(4-methoxyphenyl)-2-{[5-methyl-3-(3-methylbutyl)-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 L104-0352
N-(4-methoxyphenyl)-2-{[5-methyl-3-(3-methylbutyl)-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

L104-0352

Molecular Formula

C27H30N4O3S (C27 H30 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(C1=O)C(SCC(Nc(cc2)ccc2OC)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C27H30N4O3S/c1-18(2)14-15-31-26(33)25-24(22(16-30(25)3)19-8-6-5-7-9-19)29-27(31)35-17-23(32)28-20-10-12-21(34-4)13-11-20/h5-13,16,18H,14-15,17H2,1-4H3,(H,28,32)

InChI Key

OEVDGVLBIOCMSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.146

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-4.88

Polar Surface Area

56.888

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L104-0352 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L104-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0352?
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What is the minimum amount of L104-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0352
  • 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 L104-0352 available by request