C247-0025 Screening compound: 17-[(Z,2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-one

C247-0025 Screening compound: 17-[(Z,2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)-2-propenylidene]-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-trien-16-one
C247-0025 Screening compound: 17-[(Z,2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)-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 C247-0025
17-[(Z,2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)-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

C247-0025

Molecular Formula

C27H29NO6 (C27 H29 NO6)

Compound Name

17-[(Z,2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)-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)-1-hydroxy-3-(234-trimethoxyphenyl)prop-2-en-1-ylidene]-2-oxa-15-azatetracyclo[7.5.3.0^{110}.0^{38}]heptadeca-357-trien-16-one

SMILES

COc(ccc(/C=C/C(/O)=C(\C(C1CCCC2)c(cccc3)c3OC12N1)/C1=O)c1OC)c1OC

InChI

InChI=1S/C27H29NO6/c1-31-21-14-12-16(24(32-2)25(21)33-3)11-13-19(29)23-22-17-8-4-5-10-20(17)34-27(28-26(23)30)15-7-6-9-18(22)27/h4-5,8,10-14,18,22,29H,6-7,9,15H2,1-3H3,(H,28,30)

InChI Key

AIOKGVAXIMGXTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.32

Polar Surface Area

73.171

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.00

C247-0025 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C247-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C247-0025?
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What is the minimum amount of C247-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C247-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C247-0025
  • 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 C247-0025 available by request