C292-0317 Screening compound: 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

C292-0317 Screening compound: 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
C292-0317 Screening compound: 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C292-0317
1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-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

C292-0317

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

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

IUPAC name

1-(1234-tetrahydroquinolin-1-yl)-2-{[5-(345-trimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}ethan-1-one

SMILES

COc1cc(-c(o2)nnc2SCC(N(CCC2)c3c2cccc3)=O)cc(OC)c1OC

InChI

InChI=1S/C22H23N3O5S/c1-27-17-11-15(12-18(28-2)20(17)29-3)21-23-24-22(30-21)31-13-19(26)25-10-6-8-14-7-4-5-9-16(14)25/h4-5,7,9,11-12H,6,8,10,13H2,1-3H3

InChI Key

NNXXHJKYGRVJMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.45

Polar Surface Area

68.099

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C292-0317 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C292-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C292-0317?
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What is the minimum amount of C292-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C292-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C292-0317
  • 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 C292-0317 available by request