D101-0049 Screening compound: N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

D101-0049 Screening compound: N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
D101-0049 Screening compound: N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0049
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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

D101-0049

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

IUPAC name

N-cyclohexyl-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]benzenesulfonamide

SMILES

O=S(c1ccccc1)(N(Cc1nc(-c2ccccc2)no1)C1CCCCC1)=O

InChI

InChI=1S/C21H23N3O3S/c25-28(26,19-14-8-3-9-15-19)24(18-12-6-2-7-13-18)16-20-22-21(23-27-20)17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2

InChI Key

JHDIOWVNTFKWPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.008

Distribution Coefficient, logD

5.008

Water Solubility, LogSw

-4.82

Polar Surface Area

62.968

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D101-0049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D101-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0049?
Check Price and Availability of D101-0049, 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 D101-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0049
  • 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 D101-0049 available by request