S219-0721 Screening compound: ethyl 3-{[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carbonyl]amino}propanoate

S219-0721 Screening compound: ethyl 3-{[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carbonyl]amino}propanoate
S219-0721 Screening compound: ethyl 3-{[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S219-0721
ethyl 3-{[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carbonyl]amino}propanoate

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

S219-0721

Molecular Formula

C19H22N4O4 (C19 H22 N4 O4)

Compound Name

ethyl 3-{[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[2-(3-cyclopropyl-124-oxadiazol-5-yl)-23-dihydro-1H-indole-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(C(C1)c2nc(C3CC3)no2)c2c1cccc2)=O)=O

InChI

InChI=1S/C19H22N4O4/c1-2-26-16(24)9-10-20-19(25)23-14-6-4-3-5-13(14)11-15(23)18-21-17(22-27-18)12-7-8-12/h3-6,12,15H,2,7-11H2,1H3,(H,20,25)/t15-/m0/s1

InChI Key

MKFQYUFSACKDJC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29011663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.47

Polar Surface Area

77.609

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

S219-0721 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Indole Derivatives (10091 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S219-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S219-0721?
Check Price and Availability of S219-0721, 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 S219-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S219-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S219-0721
  • 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 S219-0721 available by request