4456-0368 Screening compound: methyl 2-[(4E)-4-[(4-methylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate

4456-0368 Screening compound: methyl 2-[(4E)-4-[(4-methylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate
4456-0368 Screening compound: methyl 2-[(4E)-4-[(4-methylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-0368
methyl 2-[(4E)-4-[(4-methylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate

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

4456-0368

Molecular Formula

C22H19NO6S (C22 H19 NO6 S)

Compound Name

methyl 2-[(4E)-4-[(4-methylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate

IUPAC name

methyl 2-[(4E)-4-[(4-methylbenzenesulfonyl)imino]-1-oxo-14-dihydronaphthalen-2-yl]-3-oxobutanoate

SMILES

CC(C(C(OC)=O)C(C(c1c2cccc1)=O)=C/C2=N\S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C22H19NO6S/c1-13-8-10-15(11-9-13)30(27,28)23-19-12-18(20(14(2)24)22(26)29-3)21(25)17-7-5-4-6-16(17)19/h4-12,20H,1-3H3/t20-/m1/s1

InChI Key

FZLHLVFJKMISJL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03211976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-4.04

Polar Surface Area

87.257

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4456-0368 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4456-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-0368?
Check Price and Availability of 4456-0368, 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 4456-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-0368
  • 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 4456-0368 available by request