3336-4366 Screening compound: N-(2,5-dimethylphenyl)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide

3336-4366 Screening compound: N-(2,5-dimethylphenyl)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide
3336-4366 Screening compound: N-(2,5-dimethylphenyl)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3336-4366
N-(2,5-dimethylphenyl)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide

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

3336-4366

Molecular Formula

C22H17NO4S (C22 H17 NO4 S)

Compound Name

N-(2,5-dimethylphenyl)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide

IUPAC name

N-(25-dimethylphenyl)-910-dioxo-910-dihydroanthracene-1-sulfonamide

SMILES

Cc1cc(NS(c(cccc2C(c3c4cccc3)=O)c2C4=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C22H17NO4S/c1-13-10-11-14(2)18(12-13)23-28(26,27)19-9-5-8-17-20(19)22(25)16-7-4-3-6-15(16)21(17)24/h3-12,23H,1-2H3

InChI Key

PEIRUDDLVWFUTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.58

Polar Surface Area

66.132

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-12.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3336-4366 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3336-4366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3336-4366?
Check Price and Availability of 3336-4366, 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 3336-4366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3336-4366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3336-4366
  • 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 3336-4366 available by request