C514-0464 Screening compound: N-(2,3-dimethylcyclohexyl)-1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

C514-0464 Screening compound: N-(2,3-dimethylcyclohexyl)-1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide
C514-0464 Screening compound: N-(2,3-dimethylcyclohexyl)-1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0464
N-(2,3-dimethylcyclohexyl)-1-({5-[(1E)-2-(furan-2-yl)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

C514-0464

Molecular Formula

C24H33N3O5S (C24 H33 N3 O5 S)

Compound Name

N-(2,3-dimethylcyclohexyl)-1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

IUPAC name

N-(23-dimethylcyclohexyl)-1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(CC1)CCN1S(c1c(/C=C/c2ccco2)onc1C)(=O)=O)=O

InChI

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

InChI Key

LYYIHQMOLQLHHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763478

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.47

Polar Surface Area

85.742

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.30

C514-0464 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C514-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0464?
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What is the minimum amount of C514-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0464
  • 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 C514-0464 available by request