4478-8283 Screening compound: 2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione

4478-8283 Screening compound: 2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
4478-8283 Screening compound: 2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-8283
2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-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

4478-8283

Molecular Formula

C24H30O6 (C24 H30 O6)

Compound Name

2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione

IUPAC name

2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-44-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-55-dimethylcyclohexane-13-dione

SMILES

CC(C)(CC(C1C(c(cc2)cc(OC)c2O)C(C(CC(C)(C)C2)=O)=C2O)=O)CC1=O

InChI

InChI=1S/C24H30O6/c1-23(2)9-15(26)21(16(27)10-23)20(13-6-7-14(25)19(8-13)30-5)22-17(28)11-24(3,4)12-18(22)29/h6-8,20-21,25,28H,9-12H2,1-5H3/t20-/m1/s1

InChI Key

LOUBSQZNMGONGE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00556332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

-0.207

Water Solubility, LogSw

-2.30

Polar Surface Area

79.179

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

4478-8283 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4478-8283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-8283?
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What is the minimum amount of 4478-8283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-8283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-8283
  • 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 4478-8283 available by request