C514-0061 Screening compound: 1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

C514-0061 Screening compound: 1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
C514-0061 Screening compound: 1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0061
1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

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

C514-0061

Molecular Formula

C24H33N3O5S (C24 H33 N3 O5 S)

Compound Name

1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

IUPAC name

1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

SMILES

CC(C)CCNC(C(CC1)CCN1S(c1c(/C=C\c(cc2)ccc2OC)onc1C)(=O)=O)=O

InChI

InChI=1S/C24H33N3O5S/c1-17(2)11-14-25-24(28)20-12-15-27(16-13-20)33(29,30)23-18(3)26-32-22(23)10-7-19-5-8-21(31-4)9-6-19/h5-10,17,20H,11-16H2,1-4H3,(H,25,28)

InChI Key

FJADELPGJPURGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.65

Polar Surface Area

85.535

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C514-0061 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C514-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0061?
Check Price and Availability of C514-0061, 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 C514-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0061
  • 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 C514-0061 available by request