H025-0478C Screening compound: 6-(4-tert-butylbenzenesulfonyl)-2,9-dimethyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole

H025-0478C Screening compound: 6-(4-tert-butylbenzenesulfonyl)-2,9-dimethyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole
H025-0478C Screening compound: 6-(4-tert-butylbenzenesulfonyl)-2,9-dimethyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0478C
6-(4-tert-butylbenzenesulfonyl)-2,9-dimethyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole

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

H025-0478C

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

6-(4-tert-butylbenzenesulfonyl)-2,9-dimethyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole

IUPAC name

6-(4-tert-butylbenzenesulfonyl)-29-dimethyl-1H2H3H4H5H6H-azepino[43-b]indole

SMILES

CC(C)(C)c(cc1)ccc1S(n1c(ccc(C)c2)c2c2c1CCCN(C)C2)(=O)=O

InChI

InChI=1S/C24H30N2O2S/c1-17-8-13-23-20(15-17)21-16-25(5)14-6-7-22(21)26(23)29(27,28)19-11-9-18(10-12-19)24(2,3)4/h8-13,15H,6-7,14,16H2,1-5H3

InChI Key

RSMMQTFEZWPJPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214623

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.721

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-5.52

Polar Surface Area

31.472

Acid Dissociation Constant (pKa)

26.52

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

H025-0478C in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with H025-0478C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0478C?
Check Price and Availability of H025-0478C, 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 H025-0478C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0478C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0478C
  • 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 H025-0478C available by request