5700-4633 Screening compound: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione

5700-4633 Screening compound: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
5700-4633 Screening compound: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5700-4633
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione

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

5700-4633

Molecular Formula

C24H30O6 (C24 H30 O6)

Compound Name

2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione

IUPAC name

n/a

SMILES

CC(C)(CC(C1C(C(C(CC(C)(C)C2)=O)C2=O)c(cc2)cc(OC)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/h6-8,20-22,25H,9-12H2,1-5H3

InChI Key

LSKSXWZFRKMWNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

-3.453

Water Solubility, LogSw

-2.08

Polar Surface Area

77.250

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5700-4633 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5700-4633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5700-4633?
Check Price and Availability of 5700-4633, 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 5700-4633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5700-4633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5700-4633
  • 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 5700-4633 available by request