4204-0025 Screening compound: methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate

4204-0025 Screening compound: methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate
4204-0025 Screening compound: methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4204-0025
methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate

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

4204-0025

Molecular Formula

C18H12ClNO4 (C18 H12 ClNO4)

Compound Name

methyl 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate

IUPAC name

methyl 3-[(3-chloro-14-dioxo-14-dihydronaphthalen-2-yl)amino]benzoate

SMILES

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

InChI

InChI=1S/C18H12ClNO4/c1-24-18(23)10-5-4-6-11(9-10)20-15-14(19)16(21)12-7-2-3-8-13(12)17(15)22/h2-9,20H,1H3

InChI Key

YXFXJSDMAFOQHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02141845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.60

Polar Surface Area

56.737

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4204-0025 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4204-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4204-0025?
Check Price and Availability of 4204-0025, 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 4204-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4204-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4204-0025
  • 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 4204-0025 available by request