K273-0179 Screening compound: 17-[(Z,2E)-3-(2,5-dimethoxyphenyl)-1-hydroxy-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-one

K273-0179 Screening compound: 17-[(Z,2E)-3-(2,5-dimethoxyphenyl)-1-hydroxy-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-one
K273-0179 Screening compound: 17-[(Z,2E)-3-(2,5-dimethoxyphenyl)-1-hydroxy-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K273-0179
17-[(Z,2E)-3-(2,5-dimethoxyphenyl)-1-hydroxy-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-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

K273-0179

Molecular Formula

C26H27NO5 (C26 H27 NO5)

Compound Name

17-[(Z,2E)-3-(2,5-dimethoxyphenyl)-1-hydroxy-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-one

IUPAC name

(17Z)-17-[(2E)-3-(25-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-2-oxa-15-azatetracyclo[7.5.3.0^{110}.0^{38}]heptadeca-357-trien-16-one

SMILES

COc(cc1)cc(/C=C/C(/O)=C(\C(C2CCCC3)c(cccc4)c4OC23N2)/C2=O)c1OC

InChI

InChI=1S/C26H27NO5/c1-30-17-11-13-21(31-2)16(15-17)10-12-20(28)24-23-18-7-3-4-9-22(18)32-26(27-25(24)29)14-6-5-8-19(23)26/h3-4,7,9-13,15,19,23,28H,5-6,8,14H2,1-2H3,(H,27,29)

InChI Key

QWTYJFUEIQJLMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.36

Polar Surface Area

65.281

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.60

K273-0179 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with K273-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K273-0179?
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What is the minimum amount of K273-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K273-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K273-0179
  • 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 K273-0179 available by request