6704-0051 Screening compound: 2-[(3-methoxyphenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione

6704-0051 Screening compound: 2-[(3-methoxyphenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione
6704-0051 Screening compound: 2-[(3-methoxyphenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6704-0051
2-[(3-methoxyphenyl)amino]-3-(pyrrolidin-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

6704-0051

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

2-[(3-methoxyphenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[(3-methoxyphenyl)amino]-3-(pyrrolidin-1-yl)-14-dihydronaphthalene-14-dione

SMILES

COc1cccc(NC(C(c(cccc2)c2C2=O)=O)=C2N2CCCC2)c1

InChI

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

InChI Key

ILEQPDNBSMYVRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922238

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

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.889

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-4.10

Polar Surface Area

46.844

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

6704-0051 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6704-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6704-0051?
Check Price and Availability of 6704-0051, 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 6704-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6704-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6704-0051
  • 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 6704-0051 available by request