4119-0052 Screening compound: ethyl N-{5-[3-(dimethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

4119-0052 Screening compound: ethyl N-{5-[3-(dimethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate
4119-0052 Screening compound: ethyl N-{5-[3-(dimethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4119-0052
ethyl N-{5-[3-(dimethylamino)propanoyl]-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

4119-0052

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-4-28-22(27)23-18-12-11-17-10-9-16-7-5-6-8-19(16)25(20(17)15-18)21(26)13-14-24(2)3/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3,(H,23,27)

InChI Key

QWZNTHPYWMQGTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01552125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.954

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-3.87

Polar Surface Area

49.254

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4119-0052 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 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

References: we are preparing a list of scientific research reports with 4119-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4119-0052?
Check Price and Availability of 4119-0052, 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 4119-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4119-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4119-0052
  • 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 4119-0052 available by request