4513-0429 Screening compound: 2-[(2-chloro-4,6-dimethoxyphenyl)amino]-1,4-dihydronaphthalene-1,4-dione

4513-0429 Screening compound: 2-[(2-chloro-4,6-dimethoxyphenyl)amino]-1,4-dihydronaphthalene-1,4-dione
4513-0429 Screening compound: 2-[(2-chloro-4,6-dimethoxyphenyl)amino]-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-0429
2-[(2-chloro-4,6-dimethoxyphenyl)amino]-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

4513-0429

Molecular Formula

C18H14ClNO4 (C18 H14 ClNO4)

Compound Name

2-[(2-chloro-4,6-dimethoxyphenyl)amino]-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[(2-chloro-46-dimethoxyphenyl)amino]-14-dihydronaphthalene-14-dione

SMILES

COc(cc1OC)cc(Cl)c1NC(C(c1c2cccc1)=O)=CC2=O

InChI

InChI=1S/C18H14ClNO4/c1-23-10-7-13(19)17(16(8-10)24-2)20-14-9-15(21)11-5-3-4-6-12(11)18(14)22/h3-9,20H,1-2H3

InChI Key

BGXSDADRMOVSSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00387152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.99

Polar Surface Area

50.208

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4513-0429 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4513-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-0429?
Check Price and Availability of 4513-0429, 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 4513-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-0429
  • 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 4513-0429 available by request