L872-0119 Screening compound: 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0119 Screening compound: 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0119 Screening compound: 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L872-0119
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-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

L872-0119

Molecular Formula

C22H31N3O2S (C22 H31 N3 O2 S)

Compound Name

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

IUPAC name

2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

CC(C)(C)c1ccc(CSC(N2)=NC(CCN(CCCOC)C3)=C3C2=O)cc1

InChI

InChI=1S/C22H31N3O2S/c1-22(2,3)17-8-6-16(7-9-17)15-28-21-23-19-10-12-25(11-5-13-27-4)14-18(19)20(26)24-21/h6-9H,5,10-15H2,1-4H3,(H,23,24,26)

InChI Key

DHQGLUZZAQQENA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.63

Polar Surface Area

46.538

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

L872-0119 in Drug Discovery

Included in Screening Libraries

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 L872-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0119?
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What is the minimum amount of L872-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0119
  • 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 L872-0119 available by request