8009-0358 Screening compound: 17-(5-acetyl-2-methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

8009-0358 Screening compound: 17-(5-acetyl-2-methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde
8009-0358 Screening compound: 17-(5-acetyl-2-methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0358
17-(5-acetyl-2-methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

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

8009-0358

Molecular Formula

C28H21NO5 (C28 H21 NO5)

Compound Name

17-(5-acetyl-2-methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

IUPAC name

17-(5-acetyl-2-methoxyphenyl)-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1-carbaldehyde

SMILES

CC(c(cc1)cc(N(C(C(C2C3(C=O)c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1OC)=O

InChI

InChI=1S/C28H21NO5/c1-15(31)16-11-12-22(34-2)21(13-16)29-26(32)24-23-17-7-3-5-9-19(17)28(14-30,25(24)27(29)33)20-10-6-4-8-18(20)23/h3-14,23-25H,1-2H3

InChI Key

OQXZAKZEYXMRIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.16

Polar Surface Area

63.765

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-8.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

8009-0358 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0358
  • 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 8009-0358 available by request