L850-1649 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

L850-1649 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
L850-1649 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-1649
1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

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

L850-1649

Molecular Formula

C23H22N6O3S (C23 H22 N6 O3 S)

Compound Name

1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)ethan-1-one

SMILES

Cc(cc1)ccc1-c1noc(-c(n2C)nnc2SCC(N2c(cc(C)cc3)c3OCC2)=O)n1

InChI

InChI=1S/C23H22N6O3S/c1-14-4-7-16(8-5-14)20-24-22(32-27-20)21-25-26-23(28(21)3)33-13-19(30)29-10-11-31-18-9-6-15(2)12-17(18)29/h4-9,12H,10-11,13H2,1-3H3

InChI Key

ZOOHFRYCZZACLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.25

Polar Surface Area

79.736

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L850-1649 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 L850-1649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-1649?
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What is the minimum amount of L850-1649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-1649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-1649
  • 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 L850-1649 available by request