L872-0087 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0087 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0087 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L872-0087
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-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

L872-0087

Molecular Formula

C17H19ClFN3O2S (C17 H19 ClFN3 O2 S)

Compound Name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

IUPAC name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

COCCN(CC1)CC(C(N2)=O)=C1N=C2SCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C17H19ClFN3O2S/c1-24-7-6-22-5-4-15-13(9-22)16(23)21-17(20-15)25-10-11-2-3-12(19)8-14(11)18/h2-3,8H,4-7,9-10H2,1H3,(H,20,21,23)

InChI Key

ZCWZRQYJBKXINN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

2.148

Water Solubility, LogSw

-3.37

Polar Surface Area

46.538

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

L872-0087 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 L872-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0087?
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What is the minimum amount of L872-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0087
  • 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 L872-0087 available by request