L872-0130 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0130 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0130 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L872-0130
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-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

L872-0130

Molecular Formula

C18H21ClFN3O2S (C18 H21 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(CC1)CC(C(N2)=O)=C1N=C2SCc(c(F)ccc1)c1Cl

InChI

InChI=1S/C18H21ClFN3O2S/c1-25-9-3-7-23-8-6-16-12(10-23)17(24)22-18(21-16)26-11-13-14(19)4-2-5-15(13)20/h2,4-5H,3,6-11H2,1H3,(H,21,22,24)

InChI Key

ZHXYXCWCYFSUCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-3.44

Polar Surface Area

46.538

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

L872-0130 in Drug Discovery

Included in Screening Libraries

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 L872-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0130?
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What is the minimum amount of L872-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0130
  • 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 L872-0130 available by request