D308-0015 Screening compound: 2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

D308-0015 Screening compound: 2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
D308-0015 Screening compound: 2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0015
2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]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

D308-0015

Molecular Formula

C21H17F3N4OS (C21 H17 F3 N4 OS)

Compound Name

2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({59-dimethyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1cccc2c1n1c(SCC(Nc3c(C(F)(F)F)cccc3)=O)nnc1cc2C

InChI

InChI=1S/C21H17F3N4OS/c1-12-6-5-7-14-13(2)10-17-26-27-20(28(17)19(12)14)30-11-18(29)25-16-9-4-3-8-15(16)21(22,23)24/h3-10H,11H2,1-2H3,(H,25,29)

InChI Key

OVPPQZXFFRDMAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.45

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

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.71

Polar Surface Area

43.309

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with D308-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0015?
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What is the minimum amount of D308-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0015
  • 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 D308-0015 available by request