S633-7524 Screening compound: 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazole

S633-7524 Screening compound: 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
S633-7524 Screening compound: 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-7524
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazole

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

S633-7524

Molecular Formula

C21H26N4O5S (C21 H26 N4 O5 S)

Compound Name

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazole

IUPAC name

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)azetidin-3-yl]-124-oxadiazole

SMILES

O=S(c(cc1)cc2c1OCCO2)(N(C1)CC1c1noc(C2N(CC3CC3)CCC2)n1)=O

InChI

InChI=1S/C21H26N4O5S/c26-31(27,16-5-6-18-19(10-16)29-9-8-28-18)25-12-15(13-25)20-22-21(30-23-20)17-2-1-7-24(17)11-14-3-4-14/h5-6,10,14-15,17H,1-4,7-9,11-13H2

InChI Key

SIDAVVPZGFJSCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

-1.136

Water Solubility, LogSw

-2.65

Polar Surface Area

83.858

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

S633-7524 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S633-7524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-7524?
Check Price and Availability of S633-7524, 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 S633-7524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-7524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-7524
  • 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 S633-7524 available by request