L542-0877 Screening compound: 3-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-4-ethyl-5-methyl-4H-1,2,4-triazole

L542-0877 Screening compound: 3-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-4-ethyl-5-methyl-4H-1,2,4-triazole
L542-0877 Screening compound: 3-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-4-ethyl-5-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L542-0877
3-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-4-ethyl-5-methyl-4H-1,2,4-triazole

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

L542-0877

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

3-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-4-ethyl-5-methyl-4H-1,2,4-triazole

IUPAC name

3-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-4-ethyl-5-methyl-4H-124-triazole

SMILES

CCn1c(SCc2c(C)oc(-c(cc3)cc(OC)c3OC)n2)nnc1C

InChI

InChI=1S/C18H22N4O3S/c1-6-22-12(3)20-21-18(22)26-10-14-11(2)25-17(19-14)13-7-8-15(23-4)16(9-13)24-5/h7-9H,6,10H2,1-5H3

InChI Key

MLXZSUNUZYGILJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-2.70

Polar Surface Area

58.397

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

L542-0877 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L542-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L542-0877?
Check Price and Availability of L542-0877, 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 L542-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L542-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L542-0877
  • 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 L542-0877 available by request