C247-0040 Screening compound: 12-[(Z,2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxy-2-propenylidene]-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C247-0040 Screening compound: 12-[(Z,2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxy-2-propenylidene]-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C247-0040 Screening compound: 12-[(Z,2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxy-2-propenylidene]-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C247-0040
12-[(Z,2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxy-2-propenylidene]-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-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

C247-0040

Molecular Formula

C25H27NO5 (C25 H27 NO5)

Compound Name

12-[(Z,2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxy-2-propenylidene]-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

(12Z)-12-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-910-dimethyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CCOc(ccc(/C=C/C(/O)=C(\C(C1)c(cccc2)c2OC1(C)N1C)/C1=O)c1)c1OC

InChI

InChI=1S/C25H27NO5/c1-5-30-21-13-11-16(14-22(21)29-4)10-12-19(27)23-18-15-25(2,26(3)24(23)28)31-20-9-7-6-8-17(18)20/h6-14,18,27H,5,15H2,1-4H3

InChI Key

VFDDAIZJNOTMLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.10

Polar Surface Area

53.348

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

C247-0040 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C247-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C247-0040?
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What is the minimum amount of C247-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C247-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C247-0040
  • 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 C247-0040 available by request