C614-5643 Screening compound: 1-{4-[(2-ethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

C614-5643 Screening compound: 1-{4-[(2-ethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine
C614-5643 Screening compound: 1-{4-[(2-ethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5643
1-{4-[(2-ethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

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

C614-5643

Molecular Formula

C27H34N4O5S2 (C27 H34 N4 O5 S2)

Compound Name

1-{4-[(2-ethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine

IUPAC name

1-{4-[(2-ethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}-4-[5-(4-methylphenyl)-134-oxadiazol-2-yl]piperidine

SMILES

CCC(CCCC1)N1S(c(cc1)ccc1S(N(CC1)CCC1c1nnc(-c2ccc(C)cc2)o1)(=O)=O)(=O)=O

InChI

InChI=1S/C27H34N4O5S2/c1-3-23-6-4-5-17-31(23)38(34,35)25-13-11-24(12-14-25)37(32,33)30-18-15-22(16-19-30)27-29-28-26(36-27)21-9-7-20(2)8-10-21/h7-14,22-23H,3-6,15-19H2,1-2H3/t23-/m0/s1

InChI Key

YRJJRFAQVLQDMR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14776655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.72

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.49

Polar Surface Area

94.328

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C614-5643 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C614-5643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5643?
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What is the minimum amount of C614-5643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5643
  • 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 C614-5643 available by request