L872-0081 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0081 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0081 Screening compound: 2-{[(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 L872-0081
2-{[(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

L872-0081

Molecular Formula

C17H20FN3O2S (C17 H20 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CC1)CC(C(N2)=O)=C1N=C2SCc(cc1)ccc1F

InChI

InChI=1S/C17H20FN3O2S/c1-23-9-8-21-7-6-15-14(10-21)16(22)20-17(19-15)24-11-12-2-4-13(18)5-3-12/h2-5H,6-11H2,1H3,(H,19,20,22)

InChI Key

XNCZUMHEKQVXDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

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

1.311

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-2.35

Polar Surface Area

46.538

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

L872-0081 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Soluble Diversity Library (15920 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 L872-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0081?
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What is the minimum amount of L872-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0081
  • 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 L872-0081 available by request