D101-0052 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-cyclohexylbenzenesulfonamide

D101-0052 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-cyclohexylbenzenesulfonamide
D101-0052 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-cyclohexylbenzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0052
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-cyclohexylbenzenesulfonamide

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

D101-0052

Molecular Formula

C21H22ClN3O3S (C21 H22 ClN3 O3 S)

Compound Name

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-cyclohexylbenzenesulfonamide

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-N-cyclohexylbenzenesulfonamide

SMILES

O=S(c1ccccc1)(N(Cc1nc(-c(cc2)ccc2Cl)no1)C1CCCCC1)=O

InChI

InChI=1S/C21H22ClN3O3S/c22-17-13-11-16(12-14-17)21-23-20(28-24-21)15-25(18-7-3-1-4-8-18)29(26,27)19-9-5-2-6-10-19/h2,5-6,9-14,18H,1,3-4,7-8,15H2

InChI Key

KHZZKMYNISXDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.94

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

5.708

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-6.13

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

References: we are preparing a list of scientific research reports with D101-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0052?
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What is the minimum amount of D101-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0052
  • 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 D101-0052 available by request