L850-0036 Screening compound: 2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide

L850-0036 Screening compound: 2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide
L850-0036 Screening compound: 2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0036
2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide

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

L850-0036

Molecular Formula

C22H22N6O3S (C22 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(N(C)c2ccccc2)=O)nnc1-c1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C22H22N6O3S/c1-4-28-20(21-23-19(26-31-21)15-10-12-17(30-3)13-11-15)24-25-22(28)32-14-18(29)27(2)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3

InChI Key

BRDVGZVAEYWCHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.64

Polar Surface Area

78.300

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L850-0036 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 L850-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0036?
Check Price and Availability of L850-0036, 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 L850-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0036
  • 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 L850-0036 available by request