8008-7923 Screening compound: 17-(3,4-dimethoxyphenethyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

8008-7923 Screening compound: 17-(3,4-dimethoxyphenethyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
8008-7923 Screening compound: 17-(3,4-dimethoxyphenethyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7923
17-(3,4-dimethoxyphenethyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-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

8008-7923

Molecular Formula

C29H27NO4 (C29 H27 NO4)

Compound Name

17-(3,4-dimethoxyphenethyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-[2-(34-dimethoxyphenyl)ethyl]-1-methyl-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaene-1618-dione

SMILES

CC(C(C(C12)C(N3CCc(cc4)cc(OC)c4OC)=O)C3=O)(c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C29H27NO4/c1-29-20-10-6-4-8-18(20)24(19-9-5-7-11-21(19)29)25-26(29)28(32)30(27(25)31)15-14-17-12-13-22(33-2)23(16-17)34-3/h4-13,16,24-26H,14-15H2,1-3H3

InChI Key

GIPFRWHEHPBODT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.07

Polar Surface Area

44.300

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.03

References: we are preparing a list of scientific research reports with 8008-7923 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 8008-7923
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7923
  • 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 8008-7923 available by request