7101-0170 Screening compound: 4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-phenylquinoline

7101-0170 Screening compound: 4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-phenylquinoline
7101-0170 Screening compound: 4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7101-0170
4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-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

7101-0170

Molecular Formula

C20H15N5S (C20 H15 N5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12

InChI

InChI=1S/C20H15N5S/c1-2-18-22-23-20-25(18)24-19(26-20)15-12-17(13-8-4-3-5-9-13)21-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3

InChI Key

MKNAPMDEIUWDEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05993617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

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

4.679

Distribution Coefficient, logD

4.675

Water Solubility, LogSw

-4.59

Polar Surface Area

43.029

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7101-0170 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Eye
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7101-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7101-0170?
Check Price and Availability of 7101-0170, 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 7101-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7101-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7101-0170
  • 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 7101-0170 available by request