0166-0008 Screening compound: 3,6,9-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-3-yl 2-methylprop-2-enoate

0166-0008 Screening compound: 3,6,9-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-3-yl 2-methylprop-2-enoate
0166-0008 Screening compound: 3,6,9-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-3-yl 2-methylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0166-0008
3,6,9-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-3-yl 2-methylprop-2-enoate

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

0166-0008

Molecular Formula

C23H26O7 (C23 H26 O7)

Compound Name

3,6,9-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-3-yl 2-methylprop-2-enoate

IUPAC name

369-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-27-dioxo-2H3H3aH4H5H7H9aH9bH-azuleno[45-b]furan-3-yl 2-methylprop-2-enoate

SMILES

CC(C(C(C(C(C)=CC1=O)C1=C(C)C1)O2)C1OC(C(C)=C)=O)(C2=O)OC(C(C)=C)=O

InChI

InChI=1S/C23H26O7/c1-10(2)20(25)28-15-9-13(6)16-14(24)8-12(5)17(16)19-18(15)23(7,22(27)29-19)30-21(26)11(3)4/h8,15,17-19H,1,3,9H2,2,4-7H3

InChI Key

ZXRNSWURARYCTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.57

Polar Surface Area

76.093

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

47.80

0166-0008 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Autophagy-Targeted Library (4564 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0166-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0166-0008?
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What is the minimum amount of 0166-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0166-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0166-0008
  • 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 0166-0008 available by request