H025-0067C Screening compound: 2,9-dimethyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole

H025-0067C Screening compound: 2,9-dimethyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole
H025-0067C Screening compound: 2,9-dimethyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0067C
2,9-dimethyl-6-(2-phenylethyl)-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

H025-0067C

Molecular Formula

C22H26N2 (C22 H26 N2)

Compound Name

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

IUPAC name

29-dimethyl-6-(2-phenylethyl)-1H2H3H4H5H6H-azepino[43-b]indole

SMILES

Cc(cc1)cc2c1n(CCc1ccccc1)c1c2CN(C)CCC1

InChI

InChI=1S/C22H26N2/c1-17-10-11-22-19(15-17)20-16-23(2)13-6-9-21(20)24(22)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3

InChI Key

XNBBMSWIUKQHRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214455

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

318.46

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

-1.253

Water Solubility, LogSw

-4.72

Polar Surface Area

5.064

Acid Dissociation Constant (pKa)

25.34

Base Dissociation Constant (pKb)

13.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

H025-0067C in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with H025-0067C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0067C?
Check Price and Availability of H025-0067C, 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 H025-0067C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0067C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0067C
  • 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 H025-0067C available by request