C514-0149 Screening compound: N-CYCLOPENTYL-1-({3-METHYL-5-[(1E)-2-(THIOPHEN-2-YL)ETHENYL]-1,2-OXAZOL-4-YL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE

C514-0149 Screening compound: N-CYCLOPENTYL-1-({3-METHYL-5-[(1E)-2-(THIOPHEN-2-YL)ETHENYL]-1,2-OXAZOL-4-YL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE
C514-0149 Screening compound: N-CYCLOPENTYL-1-({3-METHYL-5-[(1E)-2-(THIOPHEN-2-YL)ETHENYL]-1,2-OXAZOL-4-YL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-0149
N-CYCLOPENTYL-1-({3-METHYL-5-[(1E)-2-(THIOPHEN-2-YL)ETHENYL]-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

C514-0149

Molecular Formula

C21H27N3O4S2 (C21 H27 N3 O4 S2)

Compound Name

N-CYCLOPENTYL-1-({3-METHYL-5-[(1E)-2-(THIOPHEN-2-YL)ETHENYL]-1,2-OXAZOL-4-YL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1noc(/C=C/c2cccs2)c1S(N(CC1)CCC1C(NC1CCCC1)=O)(=O)=O

InChI

InChI=1S/C21H27N3O4S2/c1-15-20(19(28-23-15)9-8-18-7-4-14-29-18)30(26,27)24-12-10-16(11-13-24)21(25)22-17-5-2-3-6-17/h4,7-9,14,16-17H,2-3,5-6,10-13H2,1H3,(H,22,25)

InChI Key

WEMZXNCYFWXFOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.00

Polar Surface Area

78.988

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C514-0149 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C514-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-0149?
Check Price and Availability of C514-0149, 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 C514-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-0149
  • 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 C514-0149 available by request