3966-0544 Screening compound: 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid

3966-0544 Screening compound: 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid
3966-0544 Screening compound: 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0544
3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid

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

3966-0544

Molecular Formula

C17H10ClNO4 (C17 H10 ClNO4)

Compound Name

3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid

IUPAC name

3-[(3-chloro-14-dioxo-14-dihydronaphthalen-2-yl)amino]benzoic acid

SMILES

OC(c1cccc(NC(C(c(cccc2)c2C2=O)=O)=C2Cl)c1)=O

InChI

InChI=1S/C17H10ClNO4/c18-13-14(19-10-5-3-4-9(8-10)17(22)23)16(21)12-7-2-1-6-11(12)15(13)20/h1-8,19H,(H,22,23)

InChI Key

TYLPTGMQARBNQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00033033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-4.22

Polar Surface Area

63.972

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3966-0544 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Human Kinases Annotated Library (2415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Ion Channels

References: we are preparing a list of scientific research reports with 3966-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0544?
Check Price and Availability of 3966-0544, 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 3966-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0544
  • 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 3966-0544 available by request