D308-0089 Screening compound: N-(2-ethylphenyl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide

D308-0089 Screening compound: N-(2-ethylphenyl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide
D308-0089 Screening compound: N-(2-ethylphenyl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0089
N-(2-ethylphenyl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)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

D308-0089

Molecular Formula

C21H20N4OS (C21 H20 N4 OS)

Compound Name

N-(2-ethylphenyl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide

IUPAC name

N-(2-ethylphenyl)-2-({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)acetamide

SMILES

CCc(cccc1)c1NC(CSc1nnc2n1c(cccc1)c1c(C)c2)=O

InChI

InChI=1S/C21H20N4OS/c1-3-15-8-4-6-10-17(15)22-20(26)13-27-21-24-23-19-12-14(2)16-9-5-7-11-18(16)25(19)21/h4-12H,3,13H2,1-2H3,(H,22,26)

InChI Key

TVHKUAVEOXHZDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.22

Polar Surface Area

43.533

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D308-0089 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D308-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0089?
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What is the minimum amount of D308-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0089
  • 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 D308-0089 available by request