3271-0165 Screening compound: 17-(4-pyridyl)-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

3271-0165 Screening compound: 17-(4-pyridyl)-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
3271-0165 Screening compound: 17-(4-pyridyl)-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 3271-0165
17-(4-pyridyl)-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

3271-0165

Molecular Formula

C23H16N2O2 (C23 H16 N2 O2)

Compound Name

17-(4-pyridyl)-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-(pyridin-4-yl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaene-1618-dione

SMILES

O=C(C(C(C1c2c3cccc2)C2=O)C3c3c1cccc3)N2c1ccncc1

InChI

InChI=1S/C23H16N2O2/c26-22-20-18-14-5-1-2-6-15(14)19(17-8-4-3-7-16(17)18)21(20)23(27)25(22)13-9-11-24-12-10-13/h1-12,18-21H

InChI Key

LXLCMRRXMDGEIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-2.35

Polar Surface Area

37.878

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

3271-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3271-0165 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 3271-0165
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  • 2–4 weeks for large selections
Delivery formats for 3271-0165
  • 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 3271-0165 available by request