7101-0171 Screening compound: 4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-6-methyl-2-phenylquinoline

7101-0171 Screening compound: 4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-6-methyl-2-phenylquinoline
7101-0171 Screening compound: 4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-6-methyl-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7101-0171
4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-6-methyl-2-phenylquinoline

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

7101-0171

Molecular Formula

C21H17N5S (C21 H17 N5 S)

Compound Name

4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-6-methyl-2-phenylquinoline

IUPAC name

4-{3-ethyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-6-methyl-2-phenylquinoline

SMILES

CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccc(C)cc34)nn12

InChI

InChI=1S/C21H17N5S/c1-3-19-23-24-21-26(19)25-20(27-21)16-12-18(14-7-5-4-6-8-14)22-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3

InChI Key

VLKFGIQGIGZXSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05993241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.53

Polar Surface Area

43.029

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7101-0171 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7101-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7101-0171?
Check Price and Availability of 7101-0171, 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 7101-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7101-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7101-0171
  • 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 7101-0171 available by request