5665-0122 Screening compound: methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate

5665-0122 Screening compound: methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
5665-0122 Screening compound: methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5665-0122
methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate

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

5665-0122

Molecular Formula

C19H22O6 (C19 H22 O6)

Compound Name

methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate

IUPAC name

methyl 4-(26-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate

SMILES

CC(CC(C(C1c(cc2)ccc2C(OC)=O)C(C)=O)=O)(C1C(C)=O)O

InChI

InChI=1S/C19H22O6/c1-10(20)15-14(22)9-19(3,24)17(11(2)21)16(15)12-5-7-13(8-6-12)18(23)25-4/h5-8,15-17,24H,9H2,1-4H3

InChI Key

YRDBVESBSOGABM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

0.757

Water Solubility, LogSw

-1.65

Polar Surface Area

77.559

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 5665-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5665-0122?
Check Price and Availability of 5665-0122, 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 5665-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5665-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5665-0122
  • 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 5665-0122 available by request