2104-0011 Screening compound: 2-{[(3-methoxypropyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione

2104-0011 Screening compound: 2-{[(3-methoxypropyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
2104-0011 Screening compound: 2-{[(3-methoxypropyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2104-0011
2-{[(3-methoxypropyl)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

2104-0011

Molecular Formula

C13H21NO3 (C13 H21 NO3)

Compound Name

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

IUPAC name

2-{[(3-methoxypropyl)amino]methylidene}-55-dimethylcyclohexane-13-dione

SMILES

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

InChI

InChI=1S/C13H21NO3/c1-13(2)7-11(15)10(12(16)8-13)9-14-5-4-6-17-3/h9,14H,4-8H2,1-3H3

InChI Key

FUWMVPYASJOZIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.644

Distribution Coefficient, logD

0.643

Water Solubility, LogSw

-0.77

Polar Surface Area

48.242

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

2104-0011 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2104-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2104-0011?
Check Price and Availability of 2104-0011, 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 2104-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2104-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2104-0011
  • 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 2104-0011 available by request