C629-0113 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[3,2-c]quinoline-2-carboxamide

C629-0113 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[3,2-c]quinoline-2-carboxamide
C629-0113 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C629-0113
N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[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

C629-0113

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[3,2-c]quinoline-2-carboxamide

IUPAC name

N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[32-c]quinoline-2-carboxamide

SMILES

CCCCN(CC)CCNC(c1cc(c(C)nc2ccccc22)c2o1)=O

InChI

InChI=1S/C21H27N3O2/c1-4-6-12-24(5-2)13-11-22-21(25)19-14-17-15(3)23-18-10-8-7-9-16(18)20(17)26-19/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)

InChI Key

YJXHHFIAOUNQMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

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

3.737

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-3.85

Polar Surface Area

45.863

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C629-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C629-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C629-0113?
Check Price and Availability of C629-0113, 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 C629-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C629-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C629-0113
  • 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 C629-0113 available by request