C088-0017 Screening compound: 4-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

C088-0017 Screening compound: 4-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione
C088-0017 Screening compound: 4-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C088-0017
4-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

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

C088-0017

Molecular Formula

C26H23NO5 (C26 H23 NO5)

Compound Name

4-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

IUPAC name

4-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-ene-35-dione

SMILES

COc(cc1)ccc1C(COc(cccc1)c1N(C(C1C(C2C3C2)C=CC3C11)=O)C1=O)=O

InChI

InChI=1S/C26H23NO5/c1-31-15-8-6-14(7-9-15)21(28)13-32-22-5-3-2-4-20(22)27-25(29)23-16-10-11-17(19-12-18(16)19)24(23)26(27)30/h2-11,16-19,23-24H,12-13H2,1H3

InChI Key

KZYGSDRQJMDQRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-3.36

Polar Surface Area

57.048

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

34.60

C088-0017 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C088-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C088-0017?
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What is the minimum amount of C088-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C088-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C088-0017
  • 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 C088-0017 available by request