8018-9241 Screening compound: 12-oxa-8,17-diazaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2(7),3,5-trien-9-one

8018-9241 Screening compound: 12-oxa-8,17-diazaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2(7),3,5-trien-9-one
8018-9241 Screening compound: 12-oxa-8,17-diazaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2(7),3,5-trien-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9241
12-oxa-8,17-diazaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2(7),3,5-trien-9-one

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

8018-9241

Molecular Formula

C21H24N2O2 (C21 H24 N2 O2)

Compound Name

12-oxa-8,17-diazaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2(7),3,5-trien-9-one

IUPAC name

12-oxa-817-diazaheptacyclo[15.5.2.0^{118}.0^{27}.0^{822}.0^{1121}.0^{1520}]tetracosa-2(7)35-trien-9-one

SMILES

O=C(CC1OCCC2C(C3)C1C1C4(CC5)C3N5C2)N1c1c4cccc1

InChI

InChI=1S/C21H24N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-4,12-13,16-17,19-20H,5-11H2

InChI Key

LUMNFZCZEDAQNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.368

Distribution Coefficient, logD

-0.334

Water Solubility, LogSw

-2.15

Polar Surface Area

27.617

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

66.70

8018-9241 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9241?
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What is the minimum amount of 8018-9241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9241
  • 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 8018-9241 available by request