C514-0550 Screening compound: 1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

C514-0550 Screening compound: 1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
C514-0550 Screening compound: 1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0550
1-({5-[(1E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]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

C514-0550

Molecular Formula

C24H34N4O5S (C24 H34 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC1N(CCNC(C(CC2)CCN2S(c2c(/C=C/c3ccco3)onc2C)(=O)=O)=O)CCCC1

InChI

InChI=1S/C24H34N4O5S/c1-18-6-3-4-13-27(18)16-12-25-24(29)20-10-14-28(15-11-20)34(30,31)23-19(2)26-33-22(23)9-8-21-7-5-17-32-21/h5,7-9,17-18,20H,3-4,6,10-16H2,1-2H3,(H,25,29)/t18-/m0/s1

InChI Key

WVSCSLQAXQZMLB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14763495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

-0.199

Water Solubility, LogSw

-2.44

Polar Surface Area

88.902

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

C514-0550 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C514-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0550?
Check Price and Availability of C514-0550, 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 C514-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0550
  • 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 C514-0550 available by request