E683-0064 Screening compound: 3-cyclopentyl-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}propanamide

E683-0064 Screening compound: 3-cyclopentyl-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}propanamide
E683-0064 Screening compound: 3-cyclopentyl-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E683-0064
3-cyclopentyl-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}propanamide

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

E683-0064

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

3-cyclopentyl-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}propanamide

IUPAC name

3-cyclopentyl-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}propanamide

SMILES

Cc1c(cc(cc2)NC(CCC3CCCC3)=O)c2nc(Nc(cc2)ccc2OC)c1

InChI

InChI=1S/C25H29N3O2/c1-17-15-24(26-19-8-11-21(30-2)12-9-19)28-23-13-10-20(16-22(17)23)27-25(29)14-7-18-5-3-4-6-18/h8-13,15-16,18H,3-7,14H2,1-2H3,(H,26,28)(H,27,29)

InChI Key

HWCZGNIRJGQXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.266

Distribution Coefficient, logD

6.265

Water Solubility, LogSw

-5.53

Polar Surface Area

49.028

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E683-0064 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E683-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E683-0064?
Check Price and Availability of E683-0064, 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 E683-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E683-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E683-0064
  • 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 E683-0064 available by request