C498-0677 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C498-0677 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C498-0677 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0677
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-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

C498-0677

Molecular Formula

C26H27FN4O2S (C26 H27 FN4 O2 S)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CN(c(cccc1)c1-c1c2cc(C(NCCCN(CC3)CCN3c(cccc3)c3F)=O)s1)C2=O

InChI

InChI=1S/C26H27FN4O2S/c1-29-21-9-4-2-7-18(21)24-19(26(29)33)17-23(34-24)25(32)28-11-6-12-30-13-15-31(16-14-30)22-10-5-3-8-20(22)27/h2-5,7-10,17H,6,11-16H2,1H3,(H,28,32)

InChI Key

BIEMTTNFIIKGQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.95

Polar Surface Area

47.322

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C498-0677 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0677?
Check Price and Availability of C498-0677, 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 C498-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0677
  • 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 C498-0677 available by request