5740-0026 Screening compound: DIISOBUTYL 4-HYDROXY-4-METHYL-6-OXO-2-(3-PYRIDYL)-1,3-CYCLOHEXANEDICARBOXYLATE

5740-0026 Screening compound: DIISOBUTYL 4-HYDROXY-4-METHYL-6-OXO-2-(3-PYRIDYL)-1,3-CYCLOHEXANEDICARBOXYLATE
5740-0026 Screening compound: DIISOBUTYL 4-HYDROXY-4-METHYL-6-OXO-2-(3-PYRIDYL)-1,3-CYCLOHEXANEDICARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5740-0026
DIISOBUTYL 4-HYDROXY-4-METHYL-6-OXO-2-(3-PYRIDYL)-1,3-CYCLOHEXANEDICARBOXYLATE

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

5740-0026

Molecular Formula

C22H31NO6 (C22 H31 NO6)

Compound Name

DIISOBUTYL 4-HYDROXY-4-METHYL-6-OXO-2-(3-PYRIDYL)-1,3-CYCLOHEXANEDICARBOXYLATE

IUPAC name

n/a

SMILES

CC(C)COC(C(C(C(C(OCC(C)C)=O)C(C1)=O)c2cnccc2)C1(C)O)=O

InChI

InChI=1S/C22H31NO6/c1-13(2)11-28-20(25)18-16(24)9-22(5,27)19(21(26)29-12-14(3)4)17(18)15-7-6-8-23-10-15/h6-8,10,13-14,17-19,27H,9,11-12H2,1-5H3

InChI Key

LMKUOKKDOOIZLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03267335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-2.81

Polar Surface Area

80.508

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

17.00

5740-0026 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5740-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5740-0026?
Check Price and Availability of 5740-0026, 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 5740-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5740-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5740-0026
  • 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 5740-0026 available by request