C593-0726 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C593-0726 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C593-0726 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0726
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

C593-0726

Molecular Formula

C22H18N2O4S (C22 H18 N2 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-ethyl-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CCN(c(cccc1)c1-c1c2cc(C(Nc(cc3)cc4c3OCCO4)=O)s1)C2=O

InChI

InChI=1S/C22H18N2O4S/c1-2-24-16-6-4-3-5-14(16)20-15(22(24)26)12-19(29-20)21(25)23-13-7-8-17-18(11-13)28-10-9-27-17/h3-8,11-12H,2,9-10H2,1H3,(H,23,25)

InChI Key

VQZKDHLOGOBHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.81

Polar Surface Area

54.999

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C593-0726 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C593-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0726?
Check Price and Availability of C593-0726, 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 C593-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0726
  • 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 C593-0726 available by request