L850-0709 Screening compound: 2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

L850-0709 Screening compound: 2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
L850-0709 Screening compound: 2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0709
2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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

L850-0709

Molecular Formula

C19H22N6O3S (C19 H22 N6 O3 S)

Compound Name

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

IUPAC name

2-{[4-ethyl-5-(3-phenyl-124-oxadiazol-5-yl)-4H-124-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CCn1c(SCC(NCC2OCCC2)=O)nnc1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C19H22N6O3S/c1-2-25-17(18-21-16(24-28-18)13-7-4-3-5-8-13)22-23-19(25)29-12-15(26)20-11-14-9-6-10-27-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,20,26)/t14-/m1/s1

InChI Key

RSACKRNTNJFTHA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27479968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.46

Polar Surface Area

88.769

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

L850-0709 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 L850-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0709?
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What is the minimum amount of L850-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0709
  • 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 L850-0709 available by request