6623-0026 Screening compound: ethyl N-{5-[2-(cyclohexylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

6623-0026 Screening compound: ethyl N-{5-[2-(cyclohexylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate
6623-0026 Screening compound: ethyl N-{5-[2-(cyclohexylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-0026
ethyl N-{5-[2-(cyclohexylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

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

6623-0026

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

ethyl N-{5-[2-(cyclohexylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

IUPAC name

ethyl N-{2-[2-(cyclohexylamino)acetyl]-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}carbamate

SMILES

CCOC(Nc1cc(N(C(CNC2CCCCC2)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C25H31N3O3/c1-2-31-25(30)27-21-15-14-19-13-12-18-8-6-7-11-22(18)28(23(19)16-21)24(29)17-26-20-9-4-3-5-10-20/h6-8,11,14-16,20,26H,2-5,9-10,12-13,17H2,1H3,(H,27,30)

InChI Key

PNPWETXXVVZPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00901510

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.44

Polar Surface Area

56.671

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

6623-0026 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6623-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-0026?
Check Price and Availability of 6623-0026, 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 6623-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-0026
  • 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 6623-0026 available by request