L850-0301 Screening compound: 2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

L850-0301 Screening compound: 2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
L850-0301 Screening compound: 2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0301
2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

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

L850-0301

Molecular Formula

C18H17N7O2S2 (C18 H17 N7 O2 S2)

Compound Name

2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-({4-ethyl-5-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)-N-(13-thiazol-2-yl)acetamide

SMILES

CCn1c(SCC(Nc2nccs2)=O)nnc1-c1nc(-c2cc(C)ccc2)no1

InChI

InChI=1S/C18H17N7O2S2/c1-3-25-15(16-21-14(24-27-16)12-6-4-5-11(2)9-12)22-23-18(25)29-10-13(26)20-17-19-7-8-28-17/h4-9H,3,10H2,1-2H3,(H,19,20,26)

InChI Key

SCOWKBLUACOAAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.73

Polar Surface Area

89.271

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L850-0301 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L850-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0301?
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What is the minimum amount of L850-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0301
  • 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 L850-0301 available by request