4711-0017 Screening compound: 6-(4-bromo-2-methoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione

4711-0017 Screening compound: 6-(4-bromo-2-methoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione
4711-0017 Screening compound: 6-(4-bromo-2-methoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4711-0017
6-(4-bromo-2-methoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione

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

4711-0017

Molecular Formula

C21H14BrNO3 (C21 H14 BrNO3)

Compound Name

6-(4-bromo-2-methoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione

IUPAC name

9-(4-bromo-2-methoxyphenyl)-9-azatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaene-810-dione

SMILES

COc(cc(cc1)Br)c1N(C(c(cccc1)c1-c1c2cccc1)=O)C2=O

InChI

InChI=1S/C21H14BrNO3/c1-26-19-12-13(22)10-11-18(19)23-20(24)16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(23)25/h2-12H,1H3

InChI Key

IGXQSOHSKYZIOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03129533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-5.01

Polar Surface Area

35.903

Acid Dissociation Constant (pKa)

33.05

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4711-0017 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4711-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4711-0017?
Check Price and Availability of 4711-0017, 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 4711-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4711-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4711-0017
  • 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 4711-0017 available by request