8004-9289 Screening compound: 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol

8004-9289 Screening compound: 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol
8004-9289 Screening compound: 2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9289
2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol

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

8004-9289

Molecular Formula

C18H25NO (C18 H25 NO)

Compound Name

2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol

IUPAC name

25-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol

SMILES

CC(CN(C(C)C1)C(C)(C)C#C)C1(c1ccccc1)O

InChI

InChI=1S/C18H25NO/c1-6-17(4,5)19-13-14(2)18(20,12-15(19)3)16-10-8-7-9-11-16/h1,7-11,14-15,20H,12-13H2,2-5H3

InChI Key

IAAKUFFGGFOSEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.28

Polar Surface Area

18.188

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.60

8004-9289 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-9289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9289?
Check Price and Availability of 8004-9289, 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 8004-9289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9289
  • 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 8004-9289 available by request