C204-0341 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N'-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]BUTANEDIAMIDE

C204-0341 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N'-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]BUTANEDIAMIDE
C204-0341 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N'-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]BUTANEDIAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C204-0341
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N'-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-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

C204-0341

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N'-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]BUTANEDIAMIDE

IUPAC name

n/a

SMILES

Cc1c(cc(cc2)NC(CCC(NCc(cc3)cc4c3OCO4)=O)=O)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C27H31N5O4/c1-18-13-25(32-11-9-31(2)10-12-32)30-22-5-4-20(15-21(18)22)29-27(34)8-7-26(33)28-16-19-3-6-23-24(14-19)36-17-35-23/h3-6,13-15H,7-12,16-17H2,1-2H3,(H,28,33)(H,29,34)

InChI Key

PPNPQJCNPRQFDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-3.27

Polar Surface Area

79.426

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C204-0341 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C204-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C204-0341?
Check Price and Availability of C204-0341, 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 C204-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C204-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C204-0341
  • 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 C204-0341 available by request