C088-0007 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-3-phenylpropanoate

C088-0007 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-3-phenylpropanoate
C088-0007 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C088-0007
2-(4-methoxyphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-3-phenylpropanoate

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

C088-0007

Molecular Formula

C29H27NO6 (C29 H27 NO6)

Compound Name

2-(4-methoxyphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-3-phenylpropanoate

IUPAC name

2-(4-methoxyphenyl)-2-oxoethyl 2-{35-dioxo-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-en-4-yl}-3-phenylpropanoate

SMILES

COc(cc1)ccc1C(COC(C(Cc1ccccc1)N(C(C1C(C2C3C2)C=CC3C11)=O)C1=O)=O)=O

InChI

InChI=1S/C29H27NO6/c1-35-18-9-7-17(8-10-18)24(31)15-36-29(34)23(13-16-5-3-2-4-6-16)30-27(32)25-19-11-12-20(22-14-21(19)22)26(25)28(30)33/h2-12,19-23,25-26H,13-15H2,1H3

InChI Key

YYXJGWOZPDLZDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-3.81

Polar Surface Area

70.429

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

-9.18

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

37.90

C088-0007 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C088-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C088-0007?
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What is the minimum amount of C088-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C088-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C088-0007
  • 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 C088-0007 available by request