8011-4750 Screening compound: 1,3-diethyl 4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate

8011-4750 Screening compound: 1,3-diethyl 4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate
8011-4750 Screening compound: 1,3-diethyl 4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4750
1,3-diethyl 4,6-dioxo-2-phenylcyclohexane-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

8011-4750

Molecular Formula

C18H20O6 (C18 H20 O6)

Compound Name

1,3-diethyl 4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate

IUPAC name

13-diethyl 46-dioxo-2-phenylcyclohexane-13-dicarboxylate

SMILES

CCOC(C(C(C(C(OCC)=O)C(C1)=O)c2ccccc2)C1=O)=O

InChI

InChI=1S/C18H20O6/c1-3-23-17(21)15-12(19)10-13(20)16(18(22)24-4-2)14(15)11-8-6-5-7-9-11/h5-9,14-16H,3-4,10H2,1-2H3

InChI Key

WUYSYSSMKKOSRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.941

Distribution Coefficient, logD

-2.119

Water Solubility, LogSw

-2.05

Polar Surface Area

68.162

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

8011-4750 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-4750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4750?
Check Price and Availability of 8011-4750, 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 8011-4750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4750
  • 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 8011-4750 available by request