7687-0005 Screening compound: 2-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione

7687-0005 Screening compound: 2-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione
7687-0005 Screening compound: 2-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7687-0005
2-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione

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

7687-0005

Molecular Formula

C21H20FN3O2 (C21 H20 FN3 O2)

Compound Name

2-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-14-dihydronaphthalene-14-dione

SMILES

CN(CC1)CCN1C(C(c(cccc1)c1C1=O)=O)=C1Nc(cc1)ccc1F

InChI

InChI=1S/C21H20FN3O2/c1-24-10-12-25(13-11-24)19-18(23-15-8-6-14(22)7-9-15)20(26)16-4-2-3-5-17(16)21(19)27/h2-9,23H,10-13H2,1H3

InChI Key

RSQCYRSNPCLBAU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-3.95

Polar Surface Area

42.411

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 7687-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7687-0005?
Check Price and Availability of 7687-0005, 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 7687-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7687-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7687-0005
  • 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 7687-0005 available by request