5664-0361 Screening compound: N-[2-(2,2-DIMETHYL-4-PHENYLOXAN-4-YL)ETHYL]BENZENESULFONAMIDE

5664-0361 Screening compound: N-[2-(2,2-DIMETHYL-4-PHENYLOXAN-4-YL)ETHYL]BENZENESULFONAMIDE
5664-0361 Screening compound: N-[2-(2,2-DIMETHYL-4-PHENYLOXAN-4-YL)ETHYL]BENZENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0361
N-[2-(2,2-DIMETHYL-4-PHENYLOXAN-4-YL)ETHYL]BENZENESULFONAMIDE

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

5664-0361

Molecular Formula

C21H27NO3S (C21 H27 NO3 S)

Compound Name

N-[2-(2,2-DIMETHYL-4-PHENYLOXAN-4-YL)ETHYL]BENZENESULFONAMIDE

IUPAC name

N-[2-(22-dimethyl-4-phenyloxan-4-yl)ethyl]benzenesulfonamide

SMILES

CC(C)(C1)OCCC1(CCNS(c1ccccc1)(=O)=O)c1ccccc1

InChI

InChI=1S/C21H27NO3S/c1-20(2)17-21(14-16-25-20,18-9-5-3-6-10-18)13-15-22-26(23,24)19-11-7-4-8-12-19/h3-12,22H,13-17H2,1-2H3/t21-/m0/s1

InChI Key

IZSJYYWHCBWQOR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02987950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.30

Polar Surface Area

48.958

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

5664-0361 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5664-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0361?
Check Price and Availability of 5664-0361, 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 5664-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0361
  • 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 5664-0361 available by request