L105-0334 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-5-methyl-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L105-0334 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-5-methyl-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L105-0334 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-5-methyl-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0334
2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-5-methyl-7-phenyl-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

L105-0334

Molecular Formula

C23H22FN3O2S (C23 H22 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn(cc1-c2ccccc2)c(C(N2CCOC)=O)c1N=C2SCc(cccc1)c1F

InChI

InChI=1S/C23H22FN3O2S/c1-26-14-18(16-8-4-3-5-9-16)20-21(26)22(28)27(12-13-29-2)23(25-20)30-15-17-10-6-7-11-19(17)24/h3-11,14H,12-13,15H2,1-2H3

InChI Key

PEQLWQIHRDJKSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.24

Polar Surface Area

34.537

Acid Dissociation Constant (pKa)

29.31

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L105-0334 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)

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 L105-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0334?
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What is the minimum amount of L105-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0334
  • 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 L105-0334 available by request