L104-0002 Screening compound: 2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide

L104-0002 Screening compound: 2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide
L104-0002 Screening compound: 2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0002
2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methylphenyl)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

L104-0002

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C1=O)C(SCC(Nc2c(C)cccc2)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C25H26N4O2S/c1-4-14-29-24(31)23-22(19(15-28(23)3)18-11-6-5-7-12-18)27-25(29)32-16-21(30)26-20-13-9-8-10-17(20)2/h5-13,15H,4,14,16H2,1-3H3,(H,26,30)

InChI Key

CHJZGKXFHNUSEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

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

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.03

Polar Surface Area

48.646

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L104-0002 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 L104-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0002?
Check Price and Availability of L104-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L104-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0002
  • 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 L104-0002 available by request