5236-0011 Screening compound: 7-(4-methylphenyl)-4b,7,8,9-tetrahydro-6H-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione

5236-0011 Screening compound: 7-(4-methylphenyl)-4b,7,8,9-tetrahydro-6H-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione
5236-0011 Screening compound: 7-(4-methylphenyl)-4b,7,8,9-tetrahydro-6H-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5236-0011
7-(4-methylphenyl)-4b,7,8,9-tetrahydro-6H-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-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

5236-0011

Molecular Formula

C27H22N2O2 (C27 H22 N2 O2)

Compound Name

7-(4-methylphenyl)-4b,7,8,9-tetrahydro-6H-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione

IUPAC name

11-(4-methylphenyl)-18-diazapentacyclo[13.7.0.0^{27}.0^{914}.0^{1621}]docosa-2(7)359(14)16(21)1719-heptaene-1322-dione

SMILES

Cc1ccc(C(C2)CC(Nc(cccc3)c3N(C3c4c5cccc4)C5=O)=C3C2=O)cc1

InChI

InChI=1S/C27H22N2O2/c1-16-10-12-17(13-11-16)18-14-22-25(24(30)15-18)26-19-6-2-3-7-20(19)27(31)29(26)23-9-5-4-8-21(23)28-22/h2-13,18,26,28H,14-15H2,1H3

InChI Key

CYVRRLJXBWTENM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01971636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.33

Polar Surface Area

39.700

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

5236-0011 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5236-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0011?
Check Price and Availability of 5236-0011, 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 5236-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0011
  • 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 5236-0011 available by request