K273-0161 Screening compound: 12-[(Z,2E)-3-(4-bromophenyl)-1-hydroxy-2-propenylidene]-4-chloro-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

K273-0161 Screening compound: 12-[(Z,2E)-3-(4-bromophenyl)-1-hydroxy-2-propenylidene]-4-chloro-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
K273-0161 Screening compound: 12-[(Z,2E)-3-(4-bromophenyl)-1-hydroxy-2-propenylidene]-4-chloro-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 K273-0161
12-[(Z,2E)-3-(4-bromophenyl)-1-hydroxy-2-propenylidene]-4-chloro-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

K273-0161

Molecular Formula

C22H19BrClNO3 (C22 H19 BrClNO3)

Compound Name

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

SMILES

CC(CC1/C2=C(\C=C\c(cc3)ccc3Br)/O)(N(C)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C22H19BrClNO3/c1-22-12-17(16-11-15(24)8-10-19(16)28-22)20(21(27)25(22)2)18(26)9-5-13-3-6-14(23)7-4-13/h3-11,17,26H,12H2,1-2H3

InChI Key

IVOIMDULKWAGBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-5.89

Polar Surface Area

38.507

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

K273-0161 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K273-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K273-0161?
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What is the minimum amount of K273-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K273-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K273-0161
  • 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 K273-0161 available by request