3406-0431 Screening compound: 17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

3406-0431 Screening compound: 17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
3406-0431 Screening compound: 17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0431
17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(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

3406-0431

Molecular Formula

C25H19NO3 (C25 H19 NO3)

Compound Name

17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione

SMILES

COc(cc1)ccc1N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C25H19NO3/c1-29-15-12-10-14(11-13-15)26-24(27)22-20-16-6-2-3-7-17(16)21(23(22)25(26)28)19-9-5-4-8-18(19)20/h2-13,20-23H,1H3

InChI Key

JTNKBADCKDMOCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00345783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-3.68

Polar Surface Area

35.993

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3406-0431 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 3406-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0431
  • 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 3406-0431 available by request