4119-0060 Screening compound: isopropyl N-{5-[3-(dimethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

4119-0060 Screening compound: isopropyl N-{5-[3-(dimethylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate
4119-0060 Screening compound: isopropyl 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 4119-0060
isopropyl 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

4119-0060

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

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

IUPAC name

propan-2-yl N-{2-[3-(dimethylamino)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(CCN(C)C)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C23H29N3O3/c1-16(2)29-23(28)24-19-12-11-18-10-9-17-7-5-6-8-20(17)26(21(18)15-19)22(27)13-14-25(3)4/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3,(H,24,28)

InChI Key

TZWHYEACBSUGNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01550410

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

395.5

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

4.469

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.19

Polar Surface Area

48.933

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

4119-0060 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 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 4119-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4119-0060?
Check Price and Availability of 4119-0060, 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 4119-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4119-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4119-0060
  • 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 4119-0060 available by request