L105-0028 Screening compound: 5-methyl-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L105-0028 Screening compound: 5-methyl-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L105-0028 Screening compound: 5-methyl-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0028
5-methyl-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-7-phenyl-3-propyl-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

L105-0028

Molecular Formula

C28H28N4O2S (C28 H28 N4 O2 S)

Compound Name

5-methyl-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

IUPAC name

5-methyl-2-({[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-7-phenyl-3-propyl-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

CCCN(C1=O)C(SCc2c(C)oc(-c3ccc(C)cc3)n2)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C28H28N4O2S/c1-5-15-32-27(33)25-24(22(16-31(25)4)20-9-7-6-8-10-20)30-28(32)35-17-23-19(3)34-26(29-23)21-13-11-18(2)12-14-21/h6-14,16H,5,15,17H2,1-4H3

InChI Key

KPQCZGRXFVSTDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.032

Distribution Coefficient, logD

6.032

Water Solubility, LogSw

-5.40

Polar Surface Area

44.317

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L105-0028 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L105-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0028?
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What is the minimum amount of L105-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0028
  • 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 L105-0028 available by request