F409-0100 Screening compound: 2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone

F409-0100 Screening compound: 2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone
F409-0100 Screening compound: 2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F409-0100
2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone

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

F409-0100

Molecular Formula

C19H18N4O3S3 (C19 H18 N4 O3 S3)

Compound Name

2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone

IUPAC name

2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

Nc(nc(nc1)SCC(N(CCC2)c3c2cccc3)=O)c1S(c1cccs1)(=O)=O

InChI

InChI=1S/C19H18N4O3S3/c20-18-15(29(25,26)17-8-4-10-27-17)11-21-19(22-18)28-12-16(24)23-9-3-6-13-5-1-2-7-14(13)23/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H2,20,21,22)

InChI Key

QQQWMNLVKFQEOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.07

Polar Surface Area

84.055

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

F409-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F409-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F409-0100?
Check Price and Availability of F409-0100, 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 F409-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F409-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F409-0100
  • 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 F409-0100 available by request