8007-4686 Screening compound: 1-{[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

8007-4686 Screening compound: 1-{[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
8007-4686 Screening compound: 1-{[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4686
1-{[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-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

8007-4686

Molecular Formula

C31H19Cl2N3O4 (C31 H19 Cl2 N3 O4)

Compound Name

1-{[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

IUPAC name

1-[(E)-[(23-dichlorophenyl)imino]methyl]-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

[O-][N+](c(cccc1)c1N(C(C(C1C2(/C=N/c3cccc(Cl)c3Cl)c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C31H19Cl2N3O4/c32-21-12-7-13-22(28(21)33)34-16-31-19-10-3-1-8-17(19)25(18-9-2-4-11-20(18)31)26-27(31)30(38)35(29(26)37)23-14-5-6-15-24(23)36(39)40/h1-16,25-27H

InChI Key

XCIMKPQIABOVKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.181

Distribution Coefficient, logD

6.181

Water Solubility, LogSw

-6.39

Polar Surface Area

68.659

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with 8007-4686 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 8007-4686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4686
  • 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 8007-4686 available by request