8017-6609 Screening compound: 5-(2,4-dimethoxyphenyl)-10-(2-naphthyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione

8017-6609 Screening compound: 5-(2,4-dimethoxyphenyl)-10-(2-naphthyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione
8017-6609 Screening compound: 5-(2,4-dimethoxyphenyl)-10-(2-naphthyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6609
5-(2,4-dimethoxyphenyl)-10-(2-naphthyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-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

8017-6609

Molecular Formula

C28H24N2O5 (C28 H24 N2 O5)

Compound Name

5-(2,4-dimethoxyphenyl)-10-(2-naphthyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione

IUPAC name

5-(24-dimethoxyphenyl)-10-(naphthalen-2-yl)-3-oxa-410-diazatetracyclo[5.5.1.0^{26}.0^{812}]tridec-4-ene-911-dione

SMILES

COc(cc1)cc(OC)c1C1=NOC(C(C2)C3C(N4c5cc6ccccc6cc5)=O)C1C2C3C4=O

InChI

InChI=1S/C28H24N2O5/c1-33-17-9-10-18(21(12-17)34-2)25-24-19-13-20(26(24)35-29-25)23-22(19)27(31)30(28(23)32)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,19-20,22-24,26H,13H2,1-2H3

InChI Key

CNWBHVZCBOHMBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.36

Polar Surface Area

67.167

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

32.14

References: we are preparing a list of scientific research reports with 8017-6609 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6609
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6609
  • 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 8017-6609 available by request