3966-1283 Screening compound: N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]furan-2-carboxamide

3966-1283 Screening compound: N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]furan-2-carboxamide
3966-1283 Screening compound: N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1283
N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]furan-2-carboxamide

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

3966-1283

Molecular Formula

C28H32FNO3 (C28 H32 FNO3)

Compound Name

N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]furan-2-carboxamide

IUPAC name

N-benzyl-N-[3-(22-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]furan-2-carboxamide

SMILES

CC(C)(C1)OCCC1C(CCN(Cc1ccccc1)C(c1ccco1)=O)c(cc1)ccc1F

InChI

InChI=1S/C28H32FNO3/c1-28(2)19-23(15-18-33-28)25(22-10-12-24(29)13-11-22)14-16-30(20-21-7-4-3-5-8-21)27(31)26-9-6-17-32-26/h3-13,17,23,25H,14-16,18-20H2,1-2H3

InChI Key

ZPUAFDXIOKZSHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

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

5.610

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.34

Polar Surface Area

31.854

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.29

3966-1283 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3966-1283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1283?
Check Price and Availability of 3966-1283, 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 3966-1283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1283
  • 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 3966-1283 available by request