8011-5565 Screening compound: 5-[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-hexaen-17-yl]-2-morpholinobenzoic acid

8011-5565 Screening compound: 5-[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-hexaen-17-yl]-2-morpholinobenzoic acid
8011-5565 Screening compound: 5-[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-hexaen-17-yl]-2-morpholinobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5565
5-[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-hexaen-17-yl]-2-morpholinobenzoic acid

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

8011-5565

Molecular Formula

C29H24N2O5 (C29 H24 N2 O5)

Compound Name

5-[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-hexaen-17-yl]-2-morpholinobenzoic acid

IUPAC name

5-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}-2-(morpholin-4-yl)benzoic acid

SMILES

OC(c(cc(cc1)N(C(C(C2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1N1CCOCC1)=O

InChI

InChI=1S/C29H24N2O5/c32-27-25-23-17-5-1-2-6-18(17)24(20-8-4-3-7-19(20)23)26(25)28(33)31(27)16-9-10-22(21(15-16)29(34)35)30-11-13-36-14-12-30/h1-10,15,23-26H,11-14H2,(H,34,35)

InChI Key

AUUMSPLIEMMDMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-3.40

Polar Surface Area

67.918

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.59

8011-5565 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-5565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5565?
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What is the minimum amount of 8011-5565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5565
  • 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 8011-5565 available by request