8009-2331 Screening compound: 17-(4-chloro-2-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

8009-2331 Screening compound: 17-(4-chloro-2-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
8009-2331 Screening compound: 17-(4-chloro-2-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 8009-2331
17-(4-chloro-2-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

8009-2331

Molecular Formula

C23H15ClN2O2 (C23 H15 ClN2 O2)

Compound Name

17-(4-chloro-2-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-(4-chloropyridin-2-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)N2c1nccc(Cl)c1

InChI

InChI=1S/C23H15ClN2O2/c24-12-9-10-25-17(11-12)26-22(27)20-18-13-5-1-2-6-14(13)19(21(20)23(26)28)16-8-4-3-7-15(16)18/h1-11,18-21H

InChI Key

MQWAMUNDXRXHJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01049315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

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

3.780

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.24

Polar Surface Area

36.961

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

8009-2331 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-2331 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 8009-2331
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2331
  • 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 8009-2331 available by request