L105-0346 Screening compound: 1-[4-({[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)phenyl]pyrrolidin-2-one

L105-0346 Screening compound: 1-[4-({[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)phenyl]pyrrolidin-2-one
L105-0346 Screening compound: 1-[4-({[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0346
1-[4-({[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)phenyl]pyrrolidin-2-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

L105-0346

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

1-[4-({[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)phenyl]pyrrolidin-2-one

IUPAC name

1-[4-({[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl]sulfanyl}methyl)phenyl]pyrrolidin-2-one

SMILES

Cn(cc1-c2ccccc2)c(C(N2CCOC)=O)c1N=C2SCc(cc1)ccc1N(CCC1)C1=O

InChI

InChI=1S/C27H28N4O3S/c1-29-17-22(20-7-4-3-5-8-20)24-25(29)26(33)31(15-16-34-2)27(28-24)35-18-19-10-12-21(13-11-19)30-14-6-9-23(30)32/h3-5,7-8,10-13,17H,6,9,14-16,18H2,1-2H3

InChI Key

NOESMOVQDCURNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.517

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-3.65

Polar Surface Area

51.354

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L105-0346 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 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

References: we are preparing a list of scientific research reports with L105-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0346?
Check Price and Availability of L105-0346, 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 L105-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0346
  • 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 L105-0346 available by request