8014-2285 Screening compound: 1,3-bis(2-methylpropyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

8014-2285 Screening compound: 1,3-bis(2-methylpropyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
8014-2285 Screening compound: 1,3-bis(2-methylpropyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2285
1,3-bis(2-methylpropyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

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

8014-2285

Molecular Formula

C23H32O7 (C23 H32 O7)

Compound Name

1,3-bis(2-methylpropyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(2-methylpropyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CC(C)COC(C(C(C(C(OCC(C)C)=O)C(C1)=O)c(cc2)ccc2O)C1(C)O)=O

InChI

InChI=1S/C23H32O7/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,24,28H,10-12H2,1-5H3

InChI Key

FVYWGRKLKFZUCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.21

Polar Surface Area

88.608

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with 8014-2285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2285?
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What is the minimum amount of 8014-2285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2285
  • 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 8014-2285 available by request