L850-0296 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L850-0296 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L850-0296 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0296
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)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

L850-0296

Molecular Formula

C23H22N6O4S (C23 H22 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(NCc(cc2)cc3c2OCO3)=O)nnc1-c1nc(-c2cc(C)ccc2)no1

InChI

InChI=1S/C23H22N6O4S/c1-3-29-21(22-25-20(28-33-22)16-6-4-5-14(2)9-16)26-27-23(29)34-12-19(30)24-11-15-7-8-17-18(10-15)32-13-31-17/h4-10H,3,11-13H2,1-2H3,(H,24,30)

InChI Key

QUVLJGKBAGLSBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-3.98

Polar Surface Area

97.230

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L850-0296 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 L850-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0296?
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What is the minimum amount of L850-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0296
  • 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 L850-0296 available by request