L104-0357 Screening compound: N-(3-chlorophenyl)-2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

L104-0357 Screening compound: N-(3-chlorophenyl)-2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
L104-0357 Screening compound: N-(3-chlorophenyl)-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 L104-0357
N-(3-chlorophenyl)-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

L104-0357

Molecular Formula

C26H27ClN4O2S (C26 H27 ClN4 O2 S)

Compound Name

N-(3-chlorophenyl)-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-(3-chlorophenyl)-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(Nc2cccc(Cl)c2)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C26H27ClN4O2S/c1-17(2)12-13-31-25(33)24-23(21(15-30(24)3)18-8-5-4-6-9-18)29-26(31)34-16-22(32)28-20-11-7-10-19(27)14-20/h4-11,14-15,17H,12-13,16H2,1-3H3,(H,28,32)

InChI Key

RZXUOPXMOFWPMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.917

Distribution Coefficient, logD

5.917

Water Solubility, LogSw

-5.91

Polar Surface Area

49.344

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L104-0357 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 L104-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0357?
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What is the minimum amount of L104-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0357
  • 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 L104-0357 available by request