5340-2816 Screening compound: 1,3-di-tert-butyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

5340-2816 Screening compound: 1,3-di-tert-butyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
5340-2816 Screening compound: 1,3-di-tert-butyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-2816
1,3-di-tert-butyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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

5340-2816

Molecular Formula

C24H34O8 (C24 H34 O8)

Compound Name

1,3-di-tert-butyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-di-tert-butyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CC(C)(C)OC(C(C(C(C(OC(C)(C)C)=O)C(C1)=O)c(cc2)cc(OC)c2O)C1(C)O)=O

InChI

InChI=1S/C24H34O8/c1-22(2,3)31-20(27)18-15(26)12-24(7,29)19(21(28)32-23(4,5)6)17(18)13-9-10-14(25)16(11-13)30-8/h9-11,17-19,25,29H,12H2,1-8H3

InChI Key

NEGISBZIWNYBCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02161380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.31

Polar Surface Area

92.637

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with 5340-2816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-2816?
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What is the minimum amount of 5340-2816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-2816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-2816
  • 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 5340-2816 available by request