C247-0010 Screening compound: 12-[(Z,2E)-3-(4-chlorophenyl)-1-hydroxy-2-propenylidene]-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C247-0010 Screening compound: 12-[(Z,2E)-3-(4-chlorophenyl)-1-hydroxy-2-propenylidene]-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C247-0010 Screening compound: 12-[(Z,2E)-3-(4-chlorophenyl)-1-hydroxy-2-propenylidene]-9-methyl-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 C247-0010
12-[(Z,2E)-3-(4-chlorophenyl)-1-hydroxy-2-propenylidene]-9-methyl-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

C247-0010

Molecular Formula

C21H18ClNO3 (C21 H18 ClNO3)

Compound Name

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

IUPAC name

(12Z)-12-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-9-methyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1/C2=C(\C=C\c(cc3)ccc3Cl)/O)(NC2=O)Oc2c1cccc2

InChI

InChI=1S/C21H18ClNO3/c1-21-12-16(15-4-2-3-5-18(15)26-21)19(20(25)23-21)17(24)11-8-13-6-9-14(22)10-7-13/h2-11,16,24H,12H2,1H3,(H,23,25)

InChI Key

ZDNYWYOLIRZXDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.68

Polar Surface Area

49.272

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

C247-0010 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C247-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C247-0010?
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What is the minimum amount of C247-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C247-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C247-0010
  • 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 C247-0010 available by request