L872-0063 Screening compound: 6-[(4-methoxyphenyl)methyl]-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

L872-0063 Screening compound: 6-[(4-methoxyphenyl)methyl]-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
L872-0063 Screening compound: 6-[(4-methoxyphenyl)methyl]-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 L872-0063
6-[(4-methoxyphenyl)methyl]-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

L872-0063

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

6-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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(Cc(cc3)ccc3OC)C3)=C3C2=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C27H28N4O3S/c1-17-4-8-20(9-5-17)26-28-24(18(2)34-26)16-35-27-29-23-12-13-31(15-22(23)25(32)30-27)14-19-6-10-21(33-3)11-7-19/h4-11H,12-16H2,1-3H3,(H,29,30,32)

InChI Key

GOJJOECRXUVKLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

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

4.173

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.05

Polar Surface Area

63.612

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L872-0063 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cysteine Proteases Inhibitors Library (7839 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 L872-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0063?
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What is the minimum amount of L872-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0063
  • 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 L872-0063 available by request