8009-1717 Screening compound: 2-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

8009-1717 Screening compound: 2-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
8009-1717 Screening compound: 2-{[5-(2,4-dichlorophenyl)-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 8009-1717
2-{[5-(2,4-dichlorophenyl)-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

8009-1717

Molecular Formula

C19H15Cl2N3O2S (C19 H15 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

2-{[5-(24-dichlorophenyl)-134-oxadiazol-2-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

O=C(CSc1nnc(-c(ccc(Cl)c2)c2Cl)o1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C19H15Cl2N3O2S/c20-13-7-8-14(15(21)10-13)18-22-23-19(26-18)27-11-17(25)24-9-3-5-12-4-1-2-6-16(12)24/h1-2,4,6-8,10H,3,5,9,11H2

InChI Key

AFKBZNWFDUCXHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01417909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.73

Polar Surface Area

45.121

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8009-1717 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1717?
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What is the minimum amount of 8009-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1717
  • 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 8009-1717 available by request