4119-0056 Screening compound: isopropyl N-[5-(3-morpholinopropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate

4119-0056 Screening compound: isopropyl N-[5-(3-morpholinopropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate
4119-0056 Screening compound: isopropyl N-[5-(3-morpholinopropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4119-0056
isopropyl N-[5-(3-morpholinopropanoyl)-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

4119-0056

Molecular Formula

C25H31N3O4 (C25 H31 N3 O4)

Compound Name

isopropyl N-[5-(3-morpholinopropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate

IUPAC name

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

SMILES

CC(C)OC(Nc1cc(N(C(CCN2CCOCC2)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C25H31N3O4/c1-18(2)32-25(30)26-21-10-9-20-8-7-19-5-3-4-6-22(19)28(23(20)17-21)24(29)11-12-27-13-15-31-16-14-27/h3-6,9-10,17-18H,7-8,11-16H2,1-2H3,(H,26,30)

InChI Key

CQIURCSQCDFSBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01550419

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.07

Polar Surface Area

56.687

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

4119-0056 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4119-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4119-0056?
Check Price and Availability of 4119-0056, 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 4119-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4119-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4119-0056
  • 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 4119-0056 available by request