4029-0286 Screening compound: 1-(4-tert-butylbenzoyl)-3-phenylpiperidine

4029-0286 Screening compound: 1-(4-tert-butylbenzoyl)-3-phenylpiperidine
4029-0286 Screening compound: 1-(4-tert-butylbenzoyl)-3-phenylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4029-0286
1-(4-tert-butylbenzoyl)-3-phenylpiperidine

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

4029-0286

Molecular Formula

C22H27NO (C22 H27 NO)

Compound Name

1-(4-tert-butylbenzoyl)-3-phenylpiperidine

IUPAC name

1-(4-tert-butylbenzoyl)-3-phenylpiperidine

SMILES

CC(C)(C)c(cc1)ccc1C(N(CCC1)CC1c1ccccc1)=O

InChI

InChI=1S/C22H27NO/c1-22(2,3)20-13-11-18(12-14-20)21(24)23-15-7-10-19(16-23)17-8-5-4-6-9-17/h4-6,8-9,11-14,19H,7,10,15-16H2,1-3H3/t19-/m0/s1

InChI Key

XMMKFQFKVQLMMZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02637701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.445

Water Solubility, LogSw

-5.36

Polar Surface Area

16.549

Acid Dissociation Constant (pKa)

23.99

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

4029-0286 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4029-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4029-0286?
Check Price and Availability of 4029-0286, 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 4029-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4029-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4029-0286
  • 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 4029-0286 available by request