5271-0038 Screening compound: 2-[(2-methylphenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione

5271-0038 Screening compound: 2-[(2-methylphenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione
5271-0038 Screening compound: 2-[(2-methylphenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5271-0038
2-[(2-methylphenyl)amino]-3-(morpholin-4-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

5271-0038

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

2-[(2-methylphenyl)amino]-3-(morpholin-4-yl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[(2-methylphenyl)amino]-3-(morpholin-4-yl)-14-dihydronaphthalene-14-dione

SMILES

Cc(cccc1)c1NC(C(c(cccc1)c1C1=O)=O)=C1N1CCOCC1

InChI

InChI=1S/C21H20N2O3/c1-14-6-2-5-9-17(14)22-18-19(23-10-12-26-13-11-23)21(25)16-8-4-3-7-15(16)20(18)24/h2-9,22H,10-13H2,1H3

InChI Key

SAMGDIXQYSZAJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

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

3.061

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.66

Polar Surface Area

46.145

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 5271-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5271-0038?
Check Price and Availability of 5271-0038, 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 5271-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5271-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5271-0038
  • 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 5271-0038 available by request