S219-0050 Screening compound: 1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indol-1-yl}propan-1-one

S219-0050 Screening compound: 1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indol-1-yl}propan-1-one
S219-0050 Screening compound: 1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indol-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S219-0050
1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indol-1-yl}propan-1-one

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

S219-0050

Molecular Formula

C16H19N3O2 (C16 H19 N3 O2)

Compound Name

1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-indol-1-yl}propan-1-one

IUPAC name

1-{2-[3-(propan-2-yl)-124-oxadiazol-5-yl]-23-dihydro-1H-indol-1-yl}propan-1-one

SMILES

CCC(N(C(C1)c2nc(C(C)C)no2)c2c1cccc2)=O

InChI

InChI=1S/C16H19N3O2/c1-4-14(20)19-12-8-6-5-7-11(12)9-13(19)16-17-15(10(2)3)18-21-16/h5-8,10,13H,4,9H2,1-3H3/t13-/m0/s1

InChI Key

GPHMVVBHEMTVEC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29002656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.50

Polar Surface Area

46.687

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

S219-0050 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S219-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S219-0050?
Check Price and Availability of S219-0050, 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 S219-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S219-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S219-0050
  • 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 S219-0050 available by request