C387-0168 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

C387-0168 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
C387-0168 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0168
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-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

C387-0168

Molecular Formula

C29H32N4O2 (C29 H32 N4 O2)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

SMILES

CCN(CCCNC(c1cc(Nc(cc2)ccc2OC)nc2ccccc12)=O)c1cc(C)ccc1

InChI

InChI=1S/C29H32N4O2/c1-4-33(23-10-7-9-21(2)19-23)18-8-17-30-29(34)26-20-28(32-27-12-6-5-11-25(26)27)31-22-13-15-24(35-3)16-14-22/h5-7,9-16,19-20H,4,8,17-18H2,1-3H3,(H,30,34)(H,31,32)

InChI Key

IKSMEZGMXOQNNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.495

Distribution Coefficient, logD

6.466

Water Solubility, LogSw

-5.85

Polar Surface Area

52.837

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C387-0168 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C387-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0168?
Check Price and Availability of C387-0168, 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 C387-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0168
  • 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 C387-0168 available by request