5665-0072 Screening compound: 1,3-bis(propan-2-yl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

5665-0072 Screening compound: 1,3-bis(propan-2-yl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
5665-0072 Screening compound: 1,3-bis(propan-2-yl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5665-0072
1,3-bis(propan-2-yl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-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

5665-0072

Molecular Formula

C23H30O8 (C23 H30 O8)

Compound Name

1,3-bis(propan-2-yl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(propan-2-yl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CC(C)OC(C(C(C(C(OC(C)C)=O)C(C1)=O)c(cc2)ccc2C(OC)=O)C1(C)O)=O

InChI

InChI=1S/C23H30O8/c1-12(2)30-21(26)18-16(24)11-23(5,28)19(22(27)31-13(3)4)17(18)14-7-9-15(10-8-14)20(25)29-6/h7-10,12-13,17-19,28H,11H2,1-6H3

InChI Key

CZCYWGTVNNUEQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.15

Polar Surface Area

90.771

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with 5665-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5665-0072?
Check Price and Availability of 5665-0072, 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 5665-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5665-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5665-0072
  • 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 5665-0072 available by request