K908-0019 Screening compound: 1,3-diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

K908-0019 Screening compound: 1,3-diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
K908-0019 Screening compound: 1,3-diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K908-0019
1,3-diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-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

K908-0019

Molecular Formula

C27H32O8 (C27 H32 O8)

Compound Name

1,3-diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CCOC(C(C(C(C(OCC)=O)C(C1)=O)c(cc2)cc(OC)c2OCc2ccccc2)C1(C)O)=O

InChI

InChI=1S/C27H32O8/c1-5-33-25(29)23-19(28)15-27(3,31)24(26(30)34-6-2)22(23)18-12-13-20(21(14-18)32-4)35-16-17-10-8-7-9-11-17/h7-14,22-24,31H,5-6,15-16H2,1-4H3

InChI Key

RHSGJAYFDZEYOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.68

Polar Surface Area

85.184

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

K908-0019 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K908-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K908-0019?
Check Price and Availability of K908-0019, 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 K908-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K908-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K908-0019
  • 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 K908-0019 available by request