F080-0713 Screening compound: N-(2-methylphenyl)-3-(thiomorpholine-4-carbonyl)quinolin-4-amine

F080-0713 Screening compound: N-(2-methylphenyl)-3-(thiomorpholine-4-carbonyl)quinolin-4-amine
F080-0713 Screening compound: N-(2-methylphenyl)-3-(thiomorpholine-4-carbonyl)quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F080-0713
N-(2-methylphenyl)-3-(thiomorpholine-4-carbonyl)quinolin-4-amine

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

F080-0713

Molecular Formula

C21H21N3OS (C21 H21 N3 OS)

Compound Name

N-(2-methylphenyl)-3-(thiomorpholine-4-carbonyl)quinolin-4-amine

IUPAC name

N-(2-methylphenyl)-3-(thiomorpholine-4-carbonyl)quinolin-4-amine

SMILES

Cc(cccc1)c1Nc(c1ccccc1nc1)c1C(N1CCSCC1)=O

InChI

InChI=1S/C21H21N3OS/c1-15-6-2-4-8-18(15)23-20-16-7-3-5-9-19(16)22-14-17(20)21(25)24-10-12-26-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23)

InChI Key

WTOUDLMNUGTMMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.58

Polar Surface Area

32.558

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F080-0713 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F080-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F080-0713?
Check Price and Availability of F080-0713, 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 F080-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F080-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F080-0713
  • 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 F080-0713 available by request