K906-5078 Screening compound: 2,2-dimethyl-N6,N8-bis(4-methylphenyl)-4-oxo-2,3,4,9-tetrahydro-1H-carbazole-6,8-disulfonamide

K906-5078 Screening compound: 2,2-dimethyl-N6,N8-bis(4-methylphenyl)-4-oxo-2,3,4,9-tetrahydro-1H-carbazole-6,8-disulfonamide
K906-5078 Screening compound: 2,2-dimethyl-N6,N8-bis(4-methylphenyl)-4-oxo-2,3,4,9-tetrahydro-1H-carbazole-6,8-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-5078
2,2-dimethyl-N6,N8-bis(4-methylphenyl)-4-oxo-2,3,4,9-tetrahydro-1H-carbazole-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

K906-5078

Molecular Formula

C28H29N3O5S2 (C28 H29 N3 O5 S2)

Compound Name

2,2-dimethyl-N6,N8-bis(4-methylphenyl)-4-oxo-2,3,4,9-tetrahydro-1H-carbazole-6,8-disulfonamide

IUPAC name

22-dimethyl-N6N8-bis(4-methylphenyl)-4-oxo-2349-tetrahydro-1H-carbazole-68-disulfonamide

SMILES

CC(C)(Cc1c2c3cc(S(Nc4ccc(C)cc4)(=O)=O)cc(S(Nc4ccc(C)cc4)(=O)=O)c3[nH]1)CC2=O

InChI

InChI=1S/C28H29N3O5S2/c1-17-5-9-19(10-6-17)30-37(33,34)21-13-22-26-23(15-28(3,4)16-24(26)32)29-27(22)25(14-21)38(35,36)31-20-11-7-18(2)8-12-20/h5-14,29-31H,15-16H2,1-4H3

InChI Key

VHAKOETVURUOIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.69

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

5.488

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.55

Polar Surface Area

106.326

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K906-5078 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K906-5078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-5078?
Check Price and Availability of K906-5078, 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 K906-5078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-5078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-5078
  • 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 K906-5078 available by request