5664-0370 Screening compound: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenyl-1-(1-pyrrolidinyl)-1-butanone

5664-0370 Screening compound: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenyl-1-(1-pyrrolidinyl)-1-butanone
5664-0370 Screening compound: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenyl-1-(1-pyrrolidinyl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0370
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenyl-1-(1-pyrrolidinyl)-1-butanone

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

5664-0370

Molecular Formula

C21H31NO2 (C21 H31 NO2)

Compound Name

3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenyl-1-(1-pyrrolidinyl)-1-butanone

IUPAC name

n/a

SMILES

CC(C)(C1)OCCC1C(CC(N1CCCC1)=O)Cc1ccccc1

InChI

InChI=1S/C21H31NO2/c1-21(2)16-18(10-13-24-21)19(14-17-8-4-3-5-9-17)15-20(23)22-11-6-7-12-22/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3

InChI Key

DOBZPVKBUDODLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-3.95

Polar Surface Area

23.845

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 5664-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0370?
Check Price and Availability of 5664-0370, 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 5664-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0370
  • 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 5664-0370 available by request