S219-0458 Screening compound: 1-(2,5-dimethylbenzenesulfonyl)-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indole

S219-0458 Screening compound: 1-(2,5-dimethylbenzenesulfonyl)-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indole
S219-0458 Screening compound: 1-(2,5-dimethylbenzenesulfonyl)-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S219-0458
1-(2,5-dimethylbenzenesulfonyl)-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indole

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

S219-0458

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

1-(2,5-dimethylbenzenesulfonyl)-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indole

IUPAC name

1-(25-dimethylbenzenesulfonyl)-2-[3-(propan-2-yl)-124-oxadiazol-5-yl]-23-dihydro-1H-indole

SMILES

CC(C)c1noc(C(Cc2c3cccc2)N3S(c2c(C)ccc(C)c2)(=O)=O)n1

InChI

InChI=1S/C21H23N3O3S/c1-13(2)20-22-21(27-23-20)18-12-16-7-5-6-8-17(16)24(18)28(25,26)19-11-14(3)9-10-15(19)4/h5-11,13,18H,12H2,1-4H3/t18-/m0/s1

InChI Key

HTPZBPIAMIKGMB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31958763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.42

Polar Surface Area

63.559

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S219-0458 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S219-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S219-0458?
Check Price and Availability of S219-0458, 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 S219-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S219-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S219-0458
  • 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 S219-0458 available by request