3334-4301 Screening compound: 5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoline

3334-4301 Screening compound: 5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoline
3334-4301 Screening compound: 5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-4301
5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-[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

3334-4301

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoline

IUPAC name

5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-[124]triazolo[43-a]quinoline

SMILES

Cc(cc1)cc(OCCSc2nnc3n2c(cccc2)c2c(C)c3)c1[N+]([O-])=O

InChI

InChI=1S/C20H18N4O3S/c1-13-7-8-17(24(25)26)18(11-13)27-9-10-28-20-22-21-19-12-14(2)15-5-3-4-6-16(15)23(19)20/h3-8,11-12H,9-10H2,1-2H3

InChI Key

PCMQYAVJNMTGMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.46

Polar Surface Area

61.667

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3334-4301 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3334-4301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-4301?
Check Price and Availability of 3334-4301, 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 3334-4301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-4301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-4301
  • 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 3334-4301 available by request