L850-0229 Screening compound: ethyl 4-[2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate

L850-0229 Screening compound: ethyl 4-[2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
L850-0229 Screening compound: ethyl 4-[2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0229
ethyl 4-[2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate

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

L850-0229

Molecular Formula

C24H24N6O4S (C24 H24 N6 O4 S)

Compound Name

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

IUPAC name

ethyl 4-[2-({4-ethyl-5-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)acetamido]benzoate

SMILES

CCn1c(SCC(Nc(cc2)ccc2C(OCC)=O)=O)nnc1-c1nc(-c2cc(C)ccc2)no1

InChI

InChI=1S/C24H24N6O4S/c1-4-30-21(22-26-20(29-34-22)17-8-6-7-15(3)13-17)27-28-24(30)35-14-19(31)25-18-11-9-16(10-12-18)23(32)33-5-2/h6-13H,4-5,14H2,1-3H3,(H,25,31)

InChI Key

FADBHHYDVSLRLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.71

Polar Surface Area

99.546

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L850-0229 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 L850-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0229?
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What is the minimum amount of L850-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0229
  • 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 L850-0229 available by request