C292-0480 Screening compound: 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

C292-0480 Screening compound: 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
C292-0480 Screening compound: 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C292-0480
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)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

C292-0480

Molecular Formula

C21H19N3O4S (C21 H19 N3 O4 S)

Compound Name

2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-{[5-(23-dihydro-14-benzodioxin-2-yl)-134-oxadiazol-2-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

O=C(CSc1nnc(C2Oc(cccc3)c3OC2)o1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C21H19N3O4S/c25-19(24-11-5-7-14-6-1-2-8-15(14)24)13-29-21-23-22-20(28-21)18-12-26-16-9-3-4-10-17(16)27-18/h1-4,6,8-10,18H,5,7,11-13H2/t18-/m0/s1

InChI Key

UGVTWMNOEXRRCJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04460985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-3.71

Polar Surface Area

60.558

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C292-0480 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C292-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C292-0480?
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What is the minimum amount of C292-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C292-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C292-0480
  • 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 C292-0480 available by request