D101-0026 Screening compound: N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

D101-0026 Screening compound: N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide
D101-0026 Screening compound: N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0026
N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

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

D101-0026

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

IUPAC name

N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(Cc1nc(-c2cc(C)ccc2)no1)C1CCCCC1)(=O)=O

InChI

InChI=1S/C23H27N3O3S/c1-17-11-13-21(14-12-17)30(27,28)26(20-9-4-3-5-10-20)16-22-24-23(25-29-22)19-8-6-7-18(2)15-19/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3

InChI Key

DUVMBADAJCHRAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

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

6.091

Distribution Coefficient, logD

6.091

Water Solubility, LogSw

-5.49

Polar Surface Area

62.968

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D101-0026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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

References: we are preparing a list of scientific research reports with D101-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0026?
Check Price and Availability of D101-0026, 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 D101-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0026
  • 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 D101-0026 available by request