5896-0299 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine

5896-0299 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine
5896-0299 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5896-0299
1-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine

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

5896-0299

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

1-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine

IUPAC name

1-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-13-oxazol-5-yl]piperidine

SMILES

COc(cc1)ccc1-c1nc(S(c2ccccc2)(=O)=O)c(N2CCCCC2)o1

InChI

InChI=1S/C21H22N2O4S/c1-26-17-12-10-16(11-13-17)19-22-20(21(27-19)23-14-6-3-7-15-23)28(24,25)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-15H2,1H3

InChI Key

HNYFFWLQXOAKBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00695199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.25

Polar Surface Area

59.023

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5896-0299 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5896-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5896-0299?
Check Price and Availability of 5896-0299, 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 5896-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5896-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5896-0299
  • 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 5896-0299 available by request