4151-0333 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-methoxyphenyl)-1-ethanone

4151-0333 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-methoxyphenyl)-1-ethanone
4151-0333 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0333
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-methoxyphenyl)-1-ethanone

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

4151-0333

Molecular Formula

C23H21NO2 (C23 H21 NO2)

Compound Name

1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-methoxyphenyl)-1-ethanone

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-(4-methoxyphenyl)ethan-1-one

SMILES

COc1ccc(CC(N(c2c(CC3)cccc2)c2c3cccc2)=O)cc1

InChI

InChI=1S/C23H21NO2/c1-26-20-14-10-17(11-15-20)16-23(25)24-21-8-4-2-6-18(21)12-13-19-7-3-5-9-22(19)24/h2-11,14-15H,12-13,16H2,1H3

InChI Key

NCNKHXMZFKCUKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.09

Polar Surface Area

21.217

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4151-0333 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4151-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0333?
Check Price and Availability of 4151-0333, 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 4151-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0333
  • 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 4151-0333 available by request