D308-0428 Screening compound: ethyl 4-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]benzoate

D308-0428 Screening compound: ethyl 4-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]benzoate
D308-0428 Screening compound: ethyl 4-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0428
ethyl 4-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]benzoate

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

D308-0428

Molecular Formula

C21H19N3O2S (C21 H19 N3 O2 S)

Compound Name

ethyl 4-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]benzoate

IUPAC name

ethyl 4-[({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)methyl]benzoate

SMILES

CCOC(c1ccc(CSc2nnc3n2c(cccc2)c2c(C)c3)cc1)=O

InChI

InChI=1S/C21H19N3O2S/c1-3-26-20(25)16-10-8-15(9-11-16)13-27-21-23-22-19-12-14(2)17-6-4-5-7-18(17)24(19)21/h4-12H,3,13H2,1-2H3

InChI Key

DLBAOQMMLLTQTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

4.890

Water Solubility, LogSw

-4.77

Polar Surface Area

41.836

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D308-0428 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D308-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0428?
Check Price and Availability of D308-0428, 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 D308-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0428
  • 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 D308-0428 available by request