S633-1044 Screening compound: 3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl phenyl sulfone

S633-1044 Screening compound: 3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl phenyl sulfone
S633-1044 Screening compound: 3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl phenyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-1044
3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl phenyl sulfone

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

S633-1044

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

3-{5-[1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl phenyl sulfone

IUPAC name

n/a

SMILES

O=S(c1ccccc1)(N(C1)CC1c1noc(C2N(CC3CC3)CCC2)n1)=O

InChI

InChI=1S/C19H24N4O3S/c24-27(25,16-5-2-1-3-6-16)23-12-15(13-23)18-20-19(26-21-18)17-7-4-10-22(17)11-14-8-9-14/h1-3,5-6,14-15,17H,4,7-13H2/t17-/m0/s1

InChI Key

FBLIBHHMPISZIW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29016792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

-0.365

Water Solubility, LogSw

-3.07

Polar Surface Area

68.034

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S633-1044 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S633-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-1044?
Check Price and Availability of S633-1044, 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 S633-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-1044
  • 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 S633-1044 available by request