H025-0165 Screening compound: ethyl 6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate

H025-0165 Screening compound: ethyl 6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate
H025-0165 Screening compound: ethyl 6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0165
ethyl 6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate

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

H025-0165

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

ethyl 6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate

IUPAC name

ethyl 6-benzyl-1H2H3H4H5H6H-azepino[43-b]indole-2-carboxylate

SMILES

CCOC(N(CCC1)Cc2c1n(Cc1ccccc1)c1c2cccc1)=O

InChI

InChI=1S/C22H24N2O2/c1-2-26-22(25)23-14-8-13-21-19(16-23)18-11-6-7-12-20(18)24(21)15-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3

InChI Key

YUXTXIAGBFJZOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-4.52

Polar Surface Area

24.389

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

H025-0165 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with H025-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0165?
Check Price and Availability of H025-0165, 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 H025-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0165
  • 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 H025-0165 available by request