C204-0381 Screening compound: N'-(4-bromo-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]butanediamide

C204-0381 Screening compound: N'-(4-bromo-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]butanediamide
C204-0381 Screening compound: N'-(4-bromo-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C204-0381
N'-(4-bromo-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]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

C204-0381

Molecular Formula

C27H32BrN5O2 (C27 H32 BrN5 O2)

Compound Name

N'-(4-bromo-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]butanediamide

IUPAC name

N'-(4-bromo-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]butanediamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(CCC(Nc(cc3)c(C)cc3Br)=O)=O)c2n1

InChI

InChI=1S/C27H32BrN5O2/c1-4-32-11-13-33(14-12-32)25-16-18(2)22-17-21(6-8-24(22)30-25)29-26(34)9-10-27(35)31-23-7-5-20(28)15-19(23)3/h5-8,15-17H,4,9-14H2,1-3H3,(H,29,34)(H,31,35)

InChI Key

SANXVBNZPFXQOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.50

Polar Surface Area

60.351

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C204-0381 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C204-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C204-0381?
Check Price and Availability of C204-0381, 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 C204-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C204-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C204-0381
  • 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 C204-0381 available by request