4965-0055 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

4965-0055 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
4965-0055 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4965-0055
N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

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

4965-0055

Molecular Formula

C29H33NO4 (C29 H33 NO4)

Compound Name

N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

IUPAC name

N-[3-(2H-13-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

SMILES

CC(C)Oc1ccc(CN(CCC(Cc2ccccc2)c(cc2)cc3c2OCO3)C(C)=O)cc1

InChI

InChI=1S/C29H33NO4/c1-21(2)34-27-12-9-24(10-13-27)19-30(22(3)31)16-15-26(17-23-7-5-4-6-8-23)25-11-14-28-29(18-25)33-20-32-28/h4-14,18,21,26H,15-17,19-20H2,1-3H3/t26-/m0/s1

InChI Key

FTQRLEMZWMYSLJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD02914420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.246

Distribution Coefficient, logD

6.246

Water Solubility, LogSw

-5.50

Polar Surface Area

40.542

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 4965-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4965-0055?
Check Price and Availability of 4965-0055, 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 4965-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4965-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4965-0055
  • 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 4965-0055 available by request