L872-0014 Screening compound: 6-(2-methoxyethyl)-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0014 Screening compound: 6-(2-methoxyethyl)-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0014 Screening compound: 6-(2-methoxyethyl)-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L872-0014
6-(2-methoxyethyl)-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-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

L872-0014

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

6-(2-methoxyethyl)-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

IUPAC name

6-(2-methoxyethyl)-2-({[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

Cc1c(CSC(N2)=NC(CCN(CCOC)C3)=C3C2=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C22H26N4O3S/c1-14-4-6-16(7-5-14)21-23-19(15(2)29-21)13-30-22-24-18-8-9-26(10-11-28-3)12-17(18)20(27)25-22/h4-7H,8-13H2,1-3H3,(H,24,25,27)

InChI Key

OXWLXXOVGGRUMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.97

Polar Surface Area

64.660

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L872-0014 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L872-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0014?
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What is the minimum amount of L872-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0014
  • 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 L872-0014 available by request