D308-0116 Screening compound: 1-(4-fluorophenyl)-2-({5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one

D308-0116 Screening compound: 1-(4-fluorophenyl)-2-({5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one
D308-0116 Screening compound: 1-(4-fluorophenyl)-2-({5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0116
1-(4-fluorophenyl)-2-({5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one

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

D308-0116

Molecular Formula

C21H18FN3OS (C21 H18 FN3 OS)

Compound Name

1-(4-fluorophenyl)-2-({5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-fluorophenyl)-2-({579-trimethyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)ethan-1-one

SMILES

Cc(cc1C)cc2c1n1c(SCC(c(cc3)ccc3F)=O)nnc1cc2C

InChI

InChI=1S/C21H18FN3OS/c1-12-8-14(3)20-17(9-12)13(2)10-19-23-24-21(25(19)20)27-11-18(26)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3

InChI Key

FNMZQGUXUAGSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03047113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.13

Polar Surface Area

34.105

Acid Dissociation Constant (pKa)

16.25

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D308-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D308-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0116?
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What is the minimum amount of D308-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0116
  • 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 D308-0116 available by request