SB93-0053 Screening compound: N-[1-(3-cyclopentenylcarbonyl)-4-piperidyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SB93-0053 Screening compound: N-[1-(3-cyclopentenylcarbonyl)-4-piperidyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide
SB93-0053 Screening compound: N-[1-(3-cyclopentenylcarbonyl)-4-piperidyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB93-0053
N-[1-(3-cyclopentenylcarbonyl)-4-piperidyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

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

SB93-0053

Molecular Formula

C18H28N4O3S (C18 H28 N4 O3 S)

Compound Name

N-[1-(3-cyclopentenylcarbonyl)-4-piperidyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

IUPAC name

N-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SMILES

Cc1nccn1CCN(C(CC1)CCN1C(C1CC=CC1)=O)S(C)(=O)=O

InChI

InChI=1S/C18H28N4O3S/c1-15-19-9-12-20(15)13-14-22(26(2,24)25)17-7-10-21(11-8-17)18(23)16-5-3-4-6-16/h3-4,9,12,16-17H,5-8,10-11,13-14H2,1-2H3

InChI Key

IZKLFTRZFLKDEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.887

Distribution Coefficient, logD

-0.013

Water Solubility, LogSw

-1.60

Polar Surface Area

60.919

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SB93-0053 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB93-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB93-0053?
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What is the minimum amount of SB93-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB93-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB93-0053
  • 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 SB93-0053 available by request