8006-6415 Screening compound: 17-(2-chlorophenyl)-1-{[(3-chlorophenyl)imino]methyl}-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

8006-6415 Screening compound: 17-(2-chlorophenyl)-1-{[(3-chlorophenyl)imino]methyl}-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
8006-6415 Screening compound: 17-(2-chlorophenyl)-1-{[(3-chlorophenyl)imino]methyl}-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 8006-6415
17-(2-chlorophenyl)-1-{[(3-chlorophenyl)imino]methyl}-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

8006-6415

Molecular Formula

C31H20Cl2N2O2 (C31 H20 Cl2 N2 O2)

Compound Name

17-(2-chlorophenyl)-1-{[(3-chlorophenyl)imino]methyl}-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

17-(2-chlorophenyl)-1-[(E)-[(3-chlorophenyl)imino]methyl]-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

O=C(C(C(C1(/C=N/c2cc(Cl)ccc2)c2c3cccc2)C2=O)C3c3c1cccc3)N2c(cccc1)c1Cl

InChI

InChI=1S/C31H20Cl2N2O2/c32-18-8-7-9-19(16-18)34-17-31-22-12-3-1-10-20(22)26(21-11-2-4-13-23(21)31)27-28(31)30(37)35(29(27)36)25-15-6-5-14-24(25)33/h1-17,26-28H

InChI Key

QGSWCSRWRQAZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.148

Distribution Coefficient, logD

6.148

Water Solubility, LogSw

-6.24

Polar Surface Area

36.276

Acid Dissociation Constant (pKa)

11.55

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 8006-6415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6415?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6415
  • 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 8006-6415 available by request