7217-0069 Screening compound: 2-[(3-chlorophenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione

7217-0069 Screening compound: 2-[(3-chlorophenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione
7217-0069 Screening compound: 2-[(3-chlorophenyl)amino]-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7217-0069
2-[(3-chlorophenyl)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

7217-0069

Molecular Formula

C20H17ClN2O2 (C20 H17 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1C1=O)C(Nc2cccc(Cl)c2)=C1N1CCCC1

InChI

InChI=1S/C20H17ClN2O2/c21-13-6-5-7-14(12-13)22-17-18(23-10-3-4-11-23)20(25)16-9-2-1-8-15(16)19(17)24/h1-2,5-9,12,22H,3-4,10-11H2

InChI Key

NTNPGVATAZEMFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-4.67

Polar Surface Area

39.300

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7217-0069 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 7217-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7217-0069?
Check Price and Availability of 7217-0069, 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 7217-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7217-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7217-0069
  • 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 7217-0069 available by request