L872-0029 Screening compound: 6-[(4-fluorophenyl)methyl]-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0029 Screening compound: 6-[(4-fluorophenyl)methyl]-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0029 Screening compound: 6-[(4-fluorophenyl)methyl]-2-({[2-(4-methoxyphenyl)-5-methyl-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 L872-0029
6-[(4-fluorophenyl)methyl]-2-({[2-(4-methoxyphenyl)-5-methyl-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

L872-0029

Molecular Formula

C26H25FN4O3S (C26 H25 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2)=NC(CCN(Cc(cc3)ccc3F)C3)=C3C2=O)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C26H25FN4O3S/c1-16-23(28-25(34-16)18-5-9-20(33-2)10-6-18)15-35-26-29-22-11-12-31(14-21(22)24(32)30-26)13-17-3-7-19(27)8-4-17/h3-10H,11-15H2,1-2H3,(H,29,30,32)

InChI Key

UMKRIMYWYCZDSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.57

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

3.779

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.97

Polar Surface Area

63.612

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L872-0029 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L872-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0029?
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What is the minimum amount of L872-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0029
  • 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 L872-0029 available by request