4111-3983 Screening compound: 4-methyl-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

4111-3983 Screening compound: 4-methyl-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
4111-3983 Screening compound: 4-methyl-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-3983
4-methyl-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

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

4111-3983

Molecular Formula

C12H19N (C12 H19 N)

Compound Name

4-methyl-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

IUPAC name

(2S6R)-4-methyl-26-bis(prop-2-en-1-yl)-1236-tetrahydropyridine

SMILES

CC1=C[C@H](CC=C)N[C@H](CC=C)C1

InChI

InChI=1S/C12H19N/c1-4-6-11-8-10(3)9-12(13-11)7-5-2/h4-5,8,11-13H,1-2,6-7,9H2,3H3/t11-,12+/m0/s1

InChI Key

BDKVHGIIDKMPBK-NWDGAFQWSA-N

MDL Number (MFCD)

MFCD02188355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

177.29

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.25

Polar Surface Area

13.185

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

4111-3983 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4111-3983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-3983?
Check Price and Availability of 4111-3983, 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 4111-3983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-3983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-3983
  • 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 4111-3983 available by request