0080-0061 Screening compound: 8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate

0080-0061 Screening compound: 8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
0080-0061 Screening compound: 8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0080-0061
8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-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

0080-0061

Molecular Formula

C24H26O7 (C24 H26 O7)

Compound Name

8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate

IUPAC name

(9R10R)-88-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H8H9H10H-pyrano[23-h]chromen-9-yl 3-methylbut-2-enoate

SMILES

CC(C)([C@@H]([C@@H]1OC(C=C(C)C)=O)OC(C=C(C)C)=O)Oc(cc2)c1c(O1)c2C=CC1=O

InChI

InChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23+/m1/s1

InChI Key

UHWIZIJICYWABA-PKTZIBPZSA-N

MDL Number (MFCD)

MFCD00227032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

4.796

Water Solubility, LogSw

-4.75

Polar Surface Area

66.187

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

0080-0061 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 0080-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0080-0061?
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What is the minimum amount of 0080-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0080-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0080-0061
  • 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 0080-0061 available by request