C514-0003 Screening compound: N-(5-chloropyridin-2-yl)-1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

C514-0003 Screening compound: N-(5-chloropyridin-2-yl)-1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide
C514-0003 Screening compound: N-(5-chloropyridin-2-yl)-1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0003
N-(5-chloropyridin-2-yl)-1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)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

C514-0003

Molecular Formula

C24H25ClN4O5S (C24 H25 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C\c(cc2)ccc2OC)c1S(N(CC1)CCC1C(Nc(cc1)ncc1Cl)=O)(=O)=O

InChI

InChI=1S/C24H25ClN4O5S/c1-16-23(21(34-28-16)9-5-17-3-7-20(33-2)8-4-17)35(31,32)29-13-11-18(12-14-29)24(30)27-22-10-6-19(25)15-26-22/h3-10,15,18H,11-14H2,1-2H3,(H,26,27,30)

InChI Key

XMIARCQGVAZXHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.54

Polar Surface Area

93.804

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C514-0003 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C514-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0003?
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What is the minimum amount of C514-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0003
  • 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 C514-0003 available by request