8006-3928 Screening compound: 5,14-bis(4-methylphenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

8006-3928 Screening compound: 5,14-bis(4-methylphenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone
8006-3928 Screening compound: 5,14-bis(4-methylphenyl)-9-phenyl-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 8006-3928
5,14-bis(4-methylphenyl)-9-phenyl-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

8006-3928

Molecular Formula

C36H30N2O4 (C36 H30 N2 O4)

Compound Name

5,14-bis(4-methylphenyl)-9-phenyl-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

514-bis(4-methylphenyl)-9-phenyl-514-diazapentacyclo[9.5.2.0^{210}.0^{37}.0^{1216}]octadeca-917-diene-461315-tetrone

SMILES

Cc(cc1)ccc1N(C(C(C1)C2C(C(C3C(N4c5ccc(C)cc5)=O)C=CC5C3C4=O)C5=C1c1ccccc1)=O)C2=O

InChI

InChI=1S/C36H30N2O4/c1-19-8-12-22(13-9-19)37-33(39)27-18-26(21-6-4-3-5-7-21)28-24-16-17-25(29(28)32(27)36(37)42)31-30(24)34(40)38(35(31)41)23-14-10-20(2)11-15-23/h3-17,24-25,27,29-32H,18H2,1-2H3

InChI Key

DAOOMLMAPFAKCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.65

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

4.553

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.61

Polar Surface Area

57.283

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

-6.43

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

27.80

8006-3928 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-3928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3928?
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What is the minimum amount of 8006-3928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3928
  • 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 8006-3928 available by request