C593-0801 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C593-0801 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C593-0801 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0801
N-{3-[benzyl(methyl)amino]propyl}-5-ethyl-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

C593-0801

Molecular Formula

C25H27N3O2S (C25 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1-c1c2cc(C(NCCCN(C)Cc3ccccc3)=O)s1)C2=O

InChI

InChI=1S/C25H27N3O2S/c1-3-28-21-13-8-7-12-19(21)23-20(25(28)30)16-22(31-23)24(29)26-14-9-15-27(2)17-18-10-5-4-6-11-18/h4-8,10-13,16H,3,9,14-15,17H2,1-2H3,(H,26,29)

InChI Key

UQTQNOGVVCMXOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-3.89

Polar Surface Area

44.433

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C593-0801 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C593-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0801?
Check Price and Availability of C593-0801, 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 C593-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0801
  • 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 C593-0801 available by request