3461-2214 Screening compound: N~6~,N~8~-bis(3,4-dimethylphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide

3461-2214 Screening compound: N~6~,N~8~-bis(3,4-dimethylphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide
3461-2214 Screening compound: N~6~,N~8~-bis(3,4-dimethylphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2214
N~6~,N~8~-bis(3,4-dimethylphenyl)-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

3461-2214

Molecular Formula

C27H25N3O5S2 (C27 H25 N3 O5 S2)

Compound Name

N~6~,N~8~-bis(3,4-dimethylphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6,8-disulfonamide

IUPAC name

N9N11-bis(34-dimethylphenyl)-3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)468(12)9-pentaene-911-disulfonamide

SMILES

Cc(cc1)c(C)cc1NS(c(cc(c1cccc2c11)S(Nc3cc(C)c(C)cc3)(=O)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C27H25N3O5S2/c1-15-8-10-19(12-17(15)3)29-36(32,33)23-14-24(26-25-21(23)6-5-7-22(25)27(31)28-26)37(34,35)30-20-11-9-16(2)18(4)13-20/h5-14,29-30H,1-4H3,(H,28,31)

InChI Key

KQRDJSUQTAPXKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.520

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-6.04

Polar Surface Area

104.258

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

3461-2214 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 3461-2214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2214?
Check Price and Availability of 3461-2214, 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 3461-2214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2214
  • 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 3461-2214 available by request