3461-2254 Screening compound: N~6~,N~8~-bis(4-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide

3461-2254 Screening compound: N~6~,N~8~-bis(4-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide
3461-2254 Screening compound: N~6~,N~8~-bis(4-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2254
N~6~,N~8~-bis(4-methoxyphenyl)-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

3461-2254

Molecular Formula

C25H21N3O7S2 (C25 H21 N3 O7 S2)

Compound Name

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

IUPAC name

N9N11-bis(4-methoxyphenyl)-3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)468(12)9-pentaene-911-disulfonamide

SMILES

COc(cc1)ccc1NS(c(cc(c1cccc2c11)S(Nc(cc3)ccc3OC)(=O)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C25H21N3O7S2/c1-34-17-10-6-15(7-11-17)27-36(30,31)21-14-22(24-23-19(21)4-3-5-20(23)25(29)26-24)37(32,33)28-16-8-12-18(35-2)13-9-16/h3-14,27-28H,1-2H3,(H,26,29)

InChI Key

BWHDGVUWUUWUGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-4.21

Polar Surface Area

119.345

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3461-2254 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 3461-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2254?
Check Price and Availability of 3461-2254, 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 3461-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2254
  • 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 3461-2254 available by request