4456-2449 Screening compound: N~6~,N~8~-bis(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide

4456-2449 Screening compound: N~6~,N~8~-bis(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide
4456-2449 Screening compound: N~6~,N~8~-bis(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-2449
N~6~,N~8~-bis(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide

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

4456-2449

Molecular Formula

C27H25N3O7S2 (C27 H25 N3 O7 S2)

Compound Name

N~6~,N~8~-bis(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide

IUPAC name

N9N11-bis(4-ethoxyphenyl)-3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaene-911-disulfonamide

SMILES

CCOc(cc1)ccc1NS(c(cc(c1cccc2c11)S(Nc(cc3)ccc3OCC)(=O)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C27H25N3O7S2/c1-3-36-19-12-8-17(9-13-19)29-38(32,33)23-16-24(26-25-21(23)6-5-7-22(25)27(31)28-26)39(34,35)30-18-10-14-20(15-11-18)37-4-2/h5-16,29-30H,3-4H2,1-2H3,(H,28,31)

InChI Key

PRCJKQYBPJSPPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-4.57

Polar Surface Area

118.505

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

4456-2449 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4456-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-2449?
Check Price and Availability of 4456-2449, 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 4456-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-2449
  • 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 4456-2449 available by request