L872-0129 Screening compound: 2-{[(3-bromophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0129 Screening compound: 2-{[(3-bromophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0129 Screening compound: 2-{[(3-bromophenyl)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 L872-0129
2-{[(3-bromophenyl)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

L872-0129

Molecular Formula

C18H22BrN3O2S (C18 H22 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(CC1)CC(C(N2)=O)=C1N=C2SCc1cccc(Br)c1

InChI

InChI=1S/C18H22BrN3O2S/c1-24-9-3-7-22-8-6-16-15(11-22)17(23)21-18(20-16)25-12-13-4-2-5-14(19)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3,(H,20,21,23)

InChI Key

YDKKPRUOFQFTPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.183

Water Solubility, LogSw

-2.93

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

44.40

L872-0129 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with L872-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0129?
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What is the minimum amount of L872-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0129
  • 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 L872-0129 available by request