D308-0450 Screening compound: ethyl 8-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

D308-0450 Screening compound: ethyl 8-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate
D308-0450 Screening compound: ethyl 8-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0450
ethyl 8-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

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

D308-0450

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

ethyl 8-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

IUPAC name

ethyl 8-({[124]triazolo[43-a]quinolin-1-ylsulfanyl}methyl)-24-dihydro-13-benzodioxine-6-carboxylate

SMILES

CCOC(c1cc(CSc2nnc3n2c(cccc2)c2cc3)c2OCOCc2c1)=O

InChI

InChI=1S/C22H19N3O4S/c1-2-28-21(26)15-9-16-11-27-13-29-20(16)17(10-15)12-30-22-24-23-19-8-7-14-5-3-4-6-18(14)25(19)22/h3-10H,2,11-13H2,1H3

InChI Key

SFLWOVPZQGCKMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.54

Polar Surface Area

58.725

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D308-0450 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D308-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0450?
Check Price and Availability of D308-0450, 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 D308-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0450
  • 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 D308-0450 available by request