SB92-1123 Screening compound: N-{1-[2-(4-ethoxyphenyl)acetyl]-3-azetanyl}-N-(2-piperidinoethyl)methanesulfonamide

SB92-1123 Screening compound: N-{1-[2-(4-ethoxyphenyl)acetyl]-3-azetanyl}-N-(2-piperidinoethyl)methanesulfonamide
SB92-1123 Screening compound: N-{1-[2-(4-ethoxyphenyl)acetyl]-3-azetanyl}-N-(2-piperidinoethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB92-1123
N-{1-[2-(4-ethoxyphenyl)acetyl]-3-azetanyl}-N-(2-piperidinoethyl)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

SB92-1123

Molecular Formula

C21H33N3O4S (C21 H33 N3 O4 S)

Compound Name

N-{1-[2-(4-ethoxyphenyl)acetyl]-3-azetanyl}-N-(2-piperidinoethyl)methanesulfonamide

IUPAC name

N-{1-[2-(4-ethoxyphenyl)acetyl]azetidin-3-yl}-N-[2-(piperidin-1-yl)ethyl]methanesulfonamide

SMILES

CCOc1ccc(CC(N(C2)CC2N(CCN2CCCCC2)S(C)(=O)=O)=O)cc1

InChI

InChI=1S/C21H33N3O4S/c1-3-28-20-9-7-18(8-10-20)15-21(25)23-16-19(17-23)24(29(2,26)27)14-13-22-11-5-4-6-12-22/h7-10,19H,3-6,11-17H2,1-2H3

InChI Key

ZZSJRHSHXXRBOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.741

Water Solubility, LogSw

-2.40

Polar Surface Area

58.601

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SB92-1123 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB92-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB92-1123?
Check Price and Availability of SB92-1123, 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 SB92-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB92-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB92-1123
  • 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 SB92-1123 available by request