D101-0048 Screening compound: N-cyclohexyl-4-fluoro-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

D101-0048 Screening compound: N-cyclohexyl-4-fluoro-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide
D101-0048 Screening compound: N-cyclohexyl-4-fluoro-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0048
N-cyclohexyl-4-fluoro-N-{[3-(4-methoxyphenyl)-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

D101-0048

Molecular Formula

C22H24FN3O4S (C22 H24 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(CN(C2CCCCC2)S(c(cc2)ccc2F)(=O)=O)n1

InChI

InChI=1S/C22H24FN3O4S/c1-29-19-11-7-16(8-12-19)22-24-21(30-25-22)15-26(18-5-3-2-4-6-18)31(27,28)20-13-9-17(23)10-14-20/h7-14,18H,2-6,15H2,1H3

InChI Key

DGDHKDJSLGBLEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08681414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.21

Polar Surface Area

70.512

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D101-0048 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D101-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0048?
Check Price and Availability of D101-0048, 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 D101-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0048
  • 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 D101-0048 available by request