C066-1604 Screening compound: N-[2-(4-ETHYLPIPERAZIN-1-YL)-4-METHYLQUINOLIN-6-YL]-N'-(2-METHOXYPHENYL)BUTANEDIAMIDE

C066-1604 Screening compound: N-[2-(4-ETHYLPIPERAZIN-1-YL)-4-METHYLQUINOLIN-6-YL]-N'-(2-METHOXYPHENYL)BUTANEDIAMIDE
C066-1604 Screening compound: N-[2-(4-ETHYLPIPERAZIN-1-YL)-4-METHYLQUINOLIN-6-YL]-N'-(2-METHOXYPHENYL)BUTANEDIAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1604
N-[2-(4-ETHYLPIPERAZIN-1-YL)-4-METHYLQUINOLIN-6-YL]-N'-(2-METHOXYPHENYL)BUTANEDIAMIDE

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

C066-1604

Molecular Formula

C27H33N5O3 (C27 H33 N5 O3)

Compound Name

N-[2-(4-ETHYLPIPERAZIN-1-YL)-4-METHYLQUINOLIN-6-YL]-N'-(2-METHOXYPHENYL)BUTANEDIAMIDE

IUPAC name

n/a

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(CCC(Nc(cccc3)c3OC)=O)=O)c2n1

InChI

InChI=1S/C27H33N5O3/c1-4-31-13-15-32(16-14-31)25-17-19(2)21-18-20(9-10-22(21)29-25)28-26(33)11-12-27(34)30-23-7-5-6-8-24(23)35-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,28,33)(H,30,34)

InChI Key

IROBBPMHXSSWTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.94

Polar Surface Area

67.982

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C066-1604 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 C066-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1604?
Check Price and Availability of C066-1604, 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 C066-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1604
  • 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 C066-1604 available by request