3606-0497 Screening compound: ethyl 5-[2-(dibenzylamino)ethyl]-6-oxo-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-carboxylate

3606-0497 Screening compound: ethyl 5-[2-(dibenzylamino)ethyl]-6-oxo-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-carboxylate
3606-0497 Screening compound: ethyl 5-[2-(dibenzylamino)ethyl]-6-oxo-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3606-0497
ethyl 5-[2-(dibenzylamino)ethyl]-6-oxo-5H,6H,7H,8H,9H,10H-cyclohepta[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

3606-0497

Molecular Formula

C32H34N2O3 (C32 H34 N2 O3)

Compound Name

ethyl 5-[2-(dibenzylamino)ethyl]-6-oxo-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-carboxylate

IUPAC name

ethyl 5-[2-(dibenzylamino)ethyl]-6-oxo-5H6H7H8H9H10H-cyclohepta[b]indole-2-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1c2CCCCC1=O)=O

InChI

InChI=1S/C32H34N2O3/c1-2-37-32(36)26-17-18-29-28(21-26)27-15-9-10-16-30(35)31(27)34(29)20-19-33(22-24-11-5-3-6-12-24)23-25-13-7-4-8-14-25/h3-8,11-14,17-18,21H,2,9-10,15-16,19-20,22-23H2,1H3

InChI Key

SSHKUAMKLXSIDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01241980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.806

Distribution Coefficient, logD

6.730

Water Solubility, LogSw

-5.71

Polar Surface Area

39.002

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3606-0497 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3606-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3606-0497?
Check Price and Availability of 3606-0497, 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 3606-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3606-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3606-0497
  • 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 3606-0497 available by request