C593-0802 Screening compound: 5-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C593-0802 Screening compound: 5-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C593-0802 Screening compound: 5-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0802
5-ethyl-N-{3-[ethyl(3-methylphenyl)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

C593-0802

Molecular Formula

C26H29N3O2S (C26 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(c1cc(C(N(CC)c2c-3cccc2)=O)c3s1)=O)c1cc(C)ccc1

InChI

InChI=1S/C26H29N3O2S/c1-4-28(19-11-8-10-18(3)16-19)15-9-14-27-25(30)23-17-21-24(32-23)20-12-6-7-13-22(20)29(5-2)26(21)31/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3,(H,27,30)

InChI Key

BKAHTXKKKKLMBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.81

Polar Surface Area

43.329

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C593-0802 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

MCL1 Targeted Library (12200 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C593-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0802?
Check Price and Availability of C593-0802, 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 C593-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0802
  • 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 C593-0802 available by request