8003-0489 Screening compound: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(phenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

8003-0489 Screening compound: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(phenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
8003-0489 Screening compound: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(phenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0489
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(phenyl)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

8003-0489

Molecular Formula

C23H28O4 (C23 H28 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC(C1C(c2ccccc2)C(C(CC(C)(C)C2)=O)=C2O)=O)CC1=O

InChI

InChI=1S/C23H28O4/c1-22(2)10-15(24)20(16(25)11-22)19(14-8-6-5-7-9-14)21-17(26)12-23(3,4)13-18(21)27/h5-9,19-20,26H,10-13H2,1-4H3/t19-/m1/s1

InChI Key

GVCHLMRZZGMMSD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00358636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

0.546

Water Solubility, LogSw

-3.05

Polar Surface Area

55.001

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with 8003-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0489?
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What is the minimum amount of 8003-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0489
  • 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 8003-0489 available by request