8015-6551 Screening compound: 4-{5-[4-(tert-butyl)phenyl]-1H-pyrazol-3-yl}piperidine

8015-6551 Screening compound: 4-{5-[4-(tert-butyl)phenyl]-1H-pyrazol-3-yl}piperidine
8015-6551 Screening compound: 4-{5-[4-(tert-butyl)phenyl]-1H-pyrazol-3-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6551
4-{5-[4-(tert-butyl)phenyl]-1H-pyrazol-3-yl}piperidine

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

8015-6551

Molecular Formula

C18H25N3 (C18 H25 N3)

Compound Name

4-{5-[4-(tert-butyl)phenyl]-1H-pyrazol-3-yl}piperidine

IUPAC name

4-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]piperidine

SMILES

CC(C)(C)c(cc1)ccc1-c1cc(C2CCNCC2)n[nH]1

InChI

InChI=1S/C18H25N3/c1-18(2,3)15-6-4-13(5-7-15)16-12-17(21-20-16)14-8-10-19-11-9-14/h4-7,12,14,19H,8-11H2,1-3H3,(H,20,21)

InChI Key

WNEDVXWAGFHGLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

0.229

Water Solubility, LogSw

-3.01

Polar Surface Area

34.609

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8015-6551 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-6551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6551?
Check Price and Availability of 8015-6551, 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 8015-6551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6551
  • 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 8015-6551 available by request