L105-0109 Screening compound: 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L105-0109 Screening compound: 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L105-0109 Screening compound: 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0109
2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

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

L105-0109

Molecular Formula

C25H22ClN5O2S (C25 H22 ClN5 O2 S)

Compound Name

2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

IUPAC name

2-({[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

CC(C)N(C1=O)C(SCc2nc(-c(cc3)ccc3Cl)no2)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3

InChI Key

XDWYKTCDBWNYCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.999

Distribution Coefficient, logD

5.999

Water Solubility, LogSw

-6.06

Polar Surface Area

57.280

Acid Dissociation Constant (pKa)

30.44

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L105-0109 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L105-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0109?
Check Price and Availability of L105-0109, 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 L105-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0109
  • 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 L105-0109 available by request