8005-8615 Screening compound: 5,9,14-triphenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

8005-8615 Screening compound: 5,9,14-triphenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone
8005-8615 Screening compound: 5,9,14-triphenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8615
5,9,14-triphenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

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

8005-8615

Molecular Formula

C34H26N2O4 (C34 H26 N2 O4)

Compound Name

5,9,14-triphenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

IUPAC name

5914-triphenyl-514-diazapentacyclo[9.5.2.0^{210}.0^{37}.0^{1216}]octadeca-917-diene-461315-tetrone

SMILES

O=C(C(CC(c1ccccc1)=C1C(C(C2C(N3c4ccccc4)=O)C3=O)C=CC2C11)C1C1=O)N1c1ccccc1

InChI

InChI=1S/C34H26N2O4/c37-31-25-18-24(19-10-4-1-5-11-19)26-22-16-17-23(27(26)30(25)34(40)35(31)20-12-6-2-7-13-20)29-28(22)32(38)36(33(29)39)21-14-8-3-9-15-21/h1-17,22-23,25,27-30H,18H2

InChI Key

YONVALWGSMMQED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

3.464

Water Solubility, LogSw

-3.68

Polar Surface Area

57.283

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

23.53

8005-8615 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8005-8615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8615?
Check Price and Availability of 8005-8615, 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 8005-8615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8615
  • 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 8005-8615 available by request