4480-0945 Screening compound: 5H-dibenzo[b,f]azepin-5-yl[4-(5H-dibenzo[b,f]azepin-5-ylcarbonyl)piperazino]methanone

4480-0945 Screening compound: 5H-dibenzo[b,f]azepin-5-yl[4-(5H-dibenzo[b,f]azepin-5-ylcarbonyl)piperazino]methanone
4480-0945 Screening compound: 5H-dibenzo[b,f]azepin-5-yl[4-(5H-dibenzo[b,f]azepin-5-ylcarbonyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4480-0945
5H-dibenzo[b,f]azepin-5-yl[4-(5H-dibenzo[b,f]azepin-5-ylcarbonyl)piperazino]methanone

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

4480-0945

Molecular Formula

C34H28N4O2 (C34 H28 N4 O2)

Compound Name

5H-dibenzo[b,f]azepin-5-yl[4-(5H-dibenzo[b,f]azepin-5-ylcarbonyl)piperazino]methanone

IUPAC name

2-(4-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-2-carbonyl}piperazine-1-carbonyl)-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

O=C(N(CC1)CCN1C(N1c(cccc2)c2C=Cc2c1cccc2)=O)N1c(cccc2)c2C=Cc2c1cccc2

InChI

InChI=1S/C34H28N4O2/c39-33(37-29-13-5-1-9-25(29)17-18-26-10-2-6-14-30(26)37)35-21-23-36(24-22-35)34(40)38-31-15-7-3-11-27(31)19-20-28-12-4-8-16-32(28)38/h1-20H,21-24H2

InChI Key

SWFBFIIYBUDXLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00310672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.392

Distribution Coefficient, logD

6.392

Water Solubility, LogSw

-6.03

Polar Surface Area

31.582

Acid Dissociation Constant (pKa)

30.72

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4480-0945 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4480-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4480-0945?
Check Price and Availability of 4480-0945, 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 4480-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4480-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4480-0945
  • 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 4480-0945 available by request