4209-0127 Screening compound: 1-(4-hydroxybut-2-yn-1-yl)-1-[3-(4-{3-[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium-1-yl]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]piperidin-1-ium

4209-0127 Screening compound: 1-(4-hydroxybut-2-yn-1-yl)-1-[3-(4-{3-[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium-1-yl]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]piperidin-1-ium
4209-0127 Screening compound: 1-(4-hydroxybut-2-yn-1-yl)-1-[3-(4-{3-[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium-1-yl]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]piperidin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4209-0127
1-(4-hydroxybut-2-yn-1-yl)-1-[3-(4-{3-[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium-1-yl]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]piperidin-1-ium

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

4209-0127

Molecular Formula

C30H38N2O2 (C30 H38 N2 O2)

Compound Name

1-(4-hydroxybut-2-yn-1-yl)-1-[3-(4-{3-[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium-1-yl]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]piperidin-1-ium

IUPAC name

1-(4-hydroxybut-2-yn-1-yl)-1-[3-(4-{3-[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium-1-yl]prop-1-yn-1-yl}phenyl)prop-2-yn-1-yl]piperidin-1-ium

SMILES

OCC#CC[N+]1(CC#Cc(cc2)ccc2C#CC[N+]2(CC#CCO)CCCCC2)CCCCC1

InChI

InChI=1S/C30H38N2O2/c33-27-9-7-23-31(19-3-1-4-20-31)25-11-13-29-15-17-30(18-16-29)14-12-26-32(24-8-10-28-34)21-5-2-6-22-32/h15-18,33-34H,1-6,19-28H2/q+2

InChI Key

UOJPONFXPYMMBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.64

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.17

Polar Surface Area

35.303

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

4209-0127 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4209-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4209-0127?
Check Price and Availability of 4209-0127, 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 4209-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4209-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4209-0127
  • 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 4209-0127 available by request