S759-0493 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine

S759-0493 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine
S759-0493 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S759-0493
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[3-phenoxy-1-(propan-2-yl)azetidin-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

S759-0493

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine

IUPAC name

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[(2S3S)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine

SMILES

CC(C)N(C[C@H]1Oc2ccccc2)[C@@H]1C(CC1)CCN1S(c1cn(C)cn1)(=O)=O

InChI

InChI=1S/C21H30N4O3S/c1-16(2)25-13-19(28-18-7-5-4-6-8-18)21(25)17-9-11-24(12-10-17)29(26,27)20-14-23(3)15-22-20/h4-8,14-17,19,21H,9-13H2,1-3H3/t19-,21+/m0/s1

InChI Key

XRZMSIKKYUNEHI-PZJWPPBQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

-1.322

Water Solubility, LogSw

-3.08

Polar Surface Area

54.132

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

11.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

S759-0493 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S759-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S759-0493?
Check Price and Availability of S759-0493, 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 S759-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S759-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S759-0493
  • 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 S759-0493 available by request