3587-0001 Screening compound: 2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dione

3587-0001 Screening compound: 2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dione
3587-0001 Screening compound: 2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3587-0001
2-chloro-3-(phenylamino)-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

3587-0001

Molecular Formula

C16H10ClNO2 (C16 H10 ClNO2)

Compound Name

2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-chloro-3-(phenylamino)-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1C1=O)C(Nc2ccccc2)=C1Cl

InChI

InChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H

InChI Key

CIWCIDRTACZSAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00010250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-4.29

Polar Surface Area

35.563

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3587-0001 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3587-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3587-0001?
Check Price and Availability of 3587-0001, 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 3587-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3587-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3587-0001
  • 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 3587-0001 available by request