L872-0222 Screening compound: 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0222 Screening compound: 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0222 Screening compound: 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L872-0222
2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-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

L872-0222

Molecular Formula

C22H21F2N3O2S (C22 H21 F2 N3 O2 S)

Compound Name

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

IUPAC name

2-{[(35-difluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

COc1c(CN(CC2)CC(C(N3)=O)=C2N=C3SCc2cc(F)cc(F)c2)cccc1

InChI

InChI=1S/C22H21F2N3O2S/c1-29-20-5-3-2-4-15(20)11-27-7-6-19-18(12-27)21(28)26-22(25-19)30-13-14-8-16(23)10-17(24)9-14/h2-5,8-10H,6-7,11-13H2,1H3,(H,25,26,28)

InChI Key

BZVSXTVOMGKQNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.92

Polar Surface Area

45.576

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L872-0222 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 L872-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0222?
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What is the minimum amount of L872-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0222
  • 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 L872-0222 available by request