3998-0148 Screening compound: 8-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

3998-0148 Screening compound: 8-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
3998-0148 Screening compound: 8-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3998-0148
8-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-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

3998-0148

Molecular Formula

C18H16O5 (C18 H16 O5)

Compound Name

8-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

IUPAC name

8-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-13-dimethyl-4H-cyclohepta[c]furan-4-one

SMILES

Cc(oc(C)c1C(O)=CC(c(cc2)cc(OC)c2O)=C2)c1C2=O

InChI

InChI=1S/C18H16O5/c1-9-17-14(20)6-12(7-15(21)18(17)10(2)23-9)11-4-5-13(19)16(8-11)22-3/h4-8,19-20H,1-3H3

InChI Key

ZZCKKCQRKVKLRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-2.48

Polar Surface Area

61.469

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3998-0148 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3998-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3998-0148?
Check Price and Availability of 3998-0148, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3998-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3998-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3998-0148
  • 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 3998-0148 available by request