D308-0400 Screening compound: 2-phenoxyethyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate

D308-0400 Screening compound: 2-phenoxyethyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate
D308-0400 Screening compound: 2-phenoxyethyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0400
2-phenoxyethyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate

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

D308-0400

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

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

IUPAC name

2-phenoxyethyl 2-({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)acetate

SMILES

Cc(c(cccc1)c1n12)cc2nnc1SCC(OCCOc1ccccc1)=O

InChI

InChI=1S/C21H19N3O3S/c1-15-13-19-22-23-21(24(19)18-10-6-5-9-17(15)18)28-14-20(25)27-12-11-26-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3

InChI Key

LPUOTTQXVKOCSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.00

Polar Surface Area

48.953

Acid Dissociation Constant (pKa)

19.19

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D308-0400 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D308-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0400?
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What is the minimum amount of D308-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0400
  • 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 D308-0400 available by request