C514-0454 Screening compound: 1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide

C514-0454 Screening compound: 1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide
C514-0454 Screening compound: 1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0454
1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[4-(propan-2-yl)phenyl]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

C514-0454

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C(CC1)CCN1S(c1c(/C=C/c2ccco2)onc1C)(=O)=O)=O

InChI

InChI=1S/C25H29N3O5S/c1-17(2)19-6-8-21(9-7-19)26-25(29)20-12-14-28(15-13-20)34(30,31)24-18(3)27-33-23(24)11-10-22-5-4-16-32-22/h4-11,16-17,20H,12-15H2,1-3H3,(H,26,29)

InChI Key

FFDKSDWCYOLFOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-3.91

Polar Surface Area

84.305

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C514-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0454?
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What is the minimum amount of C514-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0454
  • 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 C514-0454 available by request