L850-1790 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

L850-1790 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
L850-1790 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-1790
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-phenyl-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

L850-1790

Molecular Formula

C21H18N6O4S (C21 H18 N6 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[4-methyl-5-(3-phenyl-124-oxadiazol-5-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cn1c(SCC(Nc(cc2)cc3c2OCCO3)=O)nnc1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C21H18N6O4S/c1-27-19(20-23-18(26-31-20)13-5-3-2-4-6-13)24-25-21(27)32-12-17(28)22-14-7-8-15-16(11-14)30-10-9-29-15/h2-8,11H,9-10,12H2,1H3,(H,22,28)

InChI Key

XMYCEISEBXEWFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-3.08

Polar Surface Area

95.701

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L850-1790 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 L850-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-1790?
Check Price and Availability of L850-1790, 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 L850-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-1790
  • 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 L850-1790 available by request