4119-0075 Screening compound: ethyl N-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

4119-0075 Screening compound: ethyl N-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate
4119-0075 Screening compound: ethyl N-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4119-0075
ethyl N-{5-[2-(4-methylpiperazino)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

4119-0075

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

ethyl N-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

IUPAC name

ethyl N-{2-[2-(4-methylpiperazin-1-yl)acetyl]-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}carbamate

SMILES

CCOC(Nc1cc(N(C(CN2CCN(C)CC2)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C24H30N4O3/c1-3-31-24(30)25-20-11-10-19-9-8-18-6-4-5-7-21(18)28(22(19)16-20)23(29)17-27-14-12-26(2)13-15-27/h4-7,10-11,16H,3,8-9,12-15,17H2,1-2H3,(H,25,30)

InChI Key

DIZVYONZLVBESK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01552190

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

2.593

Water Solubility, LogSw

-3.44

Polar Surface Area

52.598

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

4119-0075 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4119-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4119-0075?
Check Price and Availability of 4119-0075, 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 4119-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4119-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4119-0075
  • 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 4119-0075 available by request