4965-0057 Screening compound: N~1~-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N~1~-(2-fluorobenzyl)acetamide

4965-0057 Screening compound: N~1~-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N~1~-(2-fluorobenzyl)acetamide
4965-0057 Screening compound: N~1~-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N~1~-(2-fluorobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4965-0057
N~1~-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N~1~-(2-fluorobenzyl)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

4965-0057

Molecular Formula

C26H26FNO3 (C26 H26 FNO3)

Compound Name

N~1~-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N~1~-(2-fluorobenzyl)acetamide

IUPAC name

n/a

SMILES

CC(N(CCC(Cc1ccccc1)c(cc1)cc2c1OCO2)Cc(cccc1)c1F)=O

InChI

InChI=1S/C26H26FNO3/c1-19(29)28(17-23-9-5-6-10-24(23)27)14-13-22(15-20-7-3-2-4-8-20)21-11-12-25-26(16-21)31-18-30-25/h2-12,16,22H,13-15,17-18H2,1H3/t22-/m0/s1

InChI Key

XJUMSEONBAMVST-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03192666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

6.006

Water Solubility, LogSw

-5.55

Polar Surface Area

33.740

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

4965-0057 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4965-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4965-0057?
Check Price and Availability of 4965-0057, 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 4965-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4965-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4965-0057
  • 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 4965-0057 available by request