L104-0126 Screening compound: N-(2-chlorophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

L104-0126 Screening compound: N-(2-chlorophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
L104-0126 Screening compound: N-(2-chlorophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0126
N-(2-chlorophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-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

L104-0126

Molecular Formula

C24H23ClN4O2S (C24 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C1=O)C(SCC(Nc(cccc2)c2Cl)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C24H23ClN4O2S/c1-15(2)29-23(31)22-21(17(13-28(22)3)16-9-5-4-6-10-16)27-24(29)32-14-20(30)26-19-12-8-7-11-18(19)25/h4-13,15H,14H2,1-3H3,(H,26,30)

InChI Key

NMYLLLIXGKCVQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.46

Polar Surface Area

48.389

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L104-0126 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 L104-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0126?
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What is the minimum amount of L104-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0126
  • 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 L104-0126 available by request