4286-0200 Screening compound: 2-{[(2-hydroxyethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione

4286-0200 Screening compound: 2-{[(2-hydroxyethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
4286-0200 Screening compound: 2-{[(2-hydroxyethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0200
2-{[(2-hydroxyethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione

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

4286-0200

Molecular Formula

C11H17NO3 (C11 H17 NO3)

Compound Name

2-{[(2-hydroxyethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione

IUPAC name

2-{[(2-hydroxyethyl)amino]methylidene}-55-dimethylcyclohexane-13-dione

SMILES

CC(C)(CC(C1=CNCCO)=O)CC1=O

InChI

InChI=1S/C11H17NO3/c1-11(2)5-9(14)8(10(15)6-11)7-12-3-4-13/h7,12-13H,3-6H2,1-2H3

InChI Key

BAJMYLVTGGDIKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.439

Distribution Coefficient, logD

-0.439

Water Solubility, LogSw

-0.33

Polar Surface Area

56.556

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

4286-0200 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4286-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0200?
Check Price and Availability of 4286-0200, 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 4286-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0200
  • 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 4286-0200 available by request