L872-0036 Screening compound: 6-benzyl-2-({[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0036 Screening compound: 6-benzyl-2-({[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0036 Screening compound: 6-benzyl-2-({[2-(2-ethoxyphenyl)-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 L872-0036
6-benzyl-2-({[2-(2-ethoxyphenyl)-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

L872-0036

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

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

SMILES

CCOc(cccc1)c1-c1nc(CSC(N2)=NC(CCN(Cc3ccccc3)C3)=C3C2=O)c(C)o1

InChI

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

InChI Key

FUFZIDWNNSSVPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635167

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.91

Polar Surface Area

63.278

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L872-0036 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 L872-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0036?
Check Price and Availability of L872-0036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L872-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0036
  • 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 L872-0036 available by request