D308-0279 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide

D308-0279 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide
D308-0279 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0279
N-(2,4-dimethoxyphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide

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

D308-0279

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

N-(2,4-dimethoxyphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSc1nnc2n1c(cccc1)c1cc2)=O

InChI

InChI=1S/C20H18N4O3S/c1-26-14-8-9-15(17(11-14)27-2)21-19(25)12-28-20-23-22-18-10-7-13-5-3-4-6-16(13)24(18)20/h3-11H,12H2,1-2H3,(H,21,25)

InChI Key

UOQFHZSLVZKLJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.61

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D308-0279 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D308-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0279?
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What is the minimum amount of D308-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0279
  • 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 D308-0279 available by request