D308-0145 Screening compound: methyl 4-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)benzoate

D308-0145 Screening compound: methyl 4-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)benzoate
D308-0145 Screening compound: methyl 4-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0145
methyl 4-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}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

D308-0145

Molecular Formula

C19H15N3O2S (C19 H15 N3 O2 S)

Compound Name

methyl 4-({[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}methyl)benzoate

IUPAC name

methyl 4-({[124]triazolo[43-a]quinolin-1-ylsulfanyl}methyl)benzoate

SMILES

COC(c1ccc(CSc2nnc3n2c(cccc2)c2cc3)cc1)=O

InChI

InChI=1S/C19H15N3O2S/c1-24-18(23)15-8-6-13(7-9-15)12-25-19-21-20-17-11-10-14-4-2-3-5-16(14)22(17)19/h2-11H,12H2,1H3

InChI Key

NOYACPNGMQRIKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

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

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.22

Polar Surface Area

42.256

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D308-0145 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D308-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0145?
Check Price and Availability of D308-0145, 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 D308-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0145
  • 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 D308-0145 available by request