6704-0044 Screening compound: N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamide

6704-0044 Screening compound: N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamide
6704-0044 Screening compound: N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6704-0044
N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamide

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

6704-0044

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamide

IUPAC name

N-(35-dimethylphenyl)-N-[3-(4-methylpiperazin-1-yl)-14-dioxo-14-dihydronaphthalen-2-yl]acetamide

SMILES

CC(N(c1cc(C)cc(C)c1)C(C(c(cccc1)c1C1=O)=O)=C1N1CCN(C)CC1)=O

InChI

InChI=1S/C25H27N3O3/c1-16-13-17(2)15-19(14-16)28(18(3)29)23-22(27-11-9-26(4)10-12-27)24(30)20-7-5-6-8-21(20)25(23)31/h5-8,13-15H,9-12H2,1-4H3

InChI Key

XZCXKOZBIJWHMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-4.00

Polar Surface Area

48.828

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

6704-0044 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6704-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6704-0044?
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What is the minimum amount of 6704-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6704-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6704-0044
  • 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 6704-0044 available by request