D308-0139 Screening compound: 1-{[(4-fluorophenyl)methyl]sulfanyl}-9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

D308-0139 Screening compound: 1-{[(4-fluorophenyl)methyl]sulfanyl}-9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
D308-0139 Screening compound: 1-{[(4-fluorophenyl)methyl]sulfanyl}-9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0139
1-{[(4-fluorophenyl)methyl]sulfanyl}-9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

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

D308-0139

Molecular Formula

C19H16FN3OS (C19 H16 FN3 OS)

Compound Name

1-{[(4-fluorophenyl)methyl]sulfanyl}-9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

IUPAC name

1-{[(4-fluorophenyl)methyl]sulfanyl}-9-methoxy-5-methyl-[124]triazolo[43-a]quinoline

SMILES

Cc(c1cccc(OC)c1n12)cc2nnc1SCc(cc1)ccc1F

InChI

InChI=1S/C19H16FN3OS/c1-12-10-17-21-22-19(25-11-13-6-8-14(20)9-7-13)23(17)18-15(12)4-3-5-16(18)24-2/h3-10H,11H2,1-2H3

InChI Key

QWEOFWJYKJTNHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.55

Polar Surface Area

28.488

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D308-0139 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D308-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0139?
Check Price and Availability of D308-0139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D308-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0139
  • 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 D308-0139 available by request