C448-0445 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C448-0445 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C448-0445 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-0445
N-{3-[butyl(ethyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

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

C448-0445

Molecular Formula

C21H27N3O2S (C21 H27 N3 O2 S)

Compound Name

N-{3-[butyl(ethyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-{3-[butyl(ethyl)amino]propyl}-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CCCCN(CC)CCCNC(c1cc(C(Nc2c-3cccc2)=O)c3s1)=O

InChI

InChI=1S/C21H27N3O2S/c1-3-5-12-24(4-2)13-8-11-22-21(26)18-14-16-19(27-18)15-9-6-7-10-17(15)23-20(16)25/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,22,26)(H,23,25)

InChI Key

ZCBDWNADSHNQNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

1.010

Water Solubility, LogSw

-3.74

Polar Surface Area

54.054

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C448-0445 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C448-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-0445?
Check Price and Availability of C448-0445, 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 C448-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-0445
  • 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 C448-0445 available by request