C593-1007 Screening compound: 5-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C593-1007 Screening compound: 5-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C593-1007 Screening compound: 5-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1007
5-ethyl-N-[2-(4-methylpiperazin-1-yl)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

C593-1007

Molecular Formula

C21H26N4O2S (C21 H26 N4 O2 S)

Compound Name

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

IUPAC name

5-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CCN(c(cccc1)c1-c1c2cc(C(NCCN3CCN(C)CC3)=O)s1)C2=O

InChI

InChI=1S/C21H26N4O2S/c1-3-25-17-7-5-4-6-15(17)19-16(21(25)27)14-18(28-19)20(26)22-8-9-24-12-10-23(2)11-13-24/h4-7,14H,3,8-13H2,1-2H3,(H,22,26)

InChI Key

YWEAJHDMLMANJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.251

Water Solubility, LogSw

-2.89

Polar Surface Area

47.798

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C593-1007 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C593-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1007?
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What is the minimum amount of C593-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1007
  • 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 C593-1007 available by request