S219-0701 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carboxamide

S219-0701 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carboxamide
S219-0701 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S219-0701
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carboxamide

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

S219-0701

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-indole-1-carboxamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-(3-cyclopropyl-124-oxadiazol-5-yl)-23-dihydro-1H-indole-1-carboxamide

SMILES

COc(c(NC(N(C(C1)c2nc(C3CC3)no2)c2c1cccc2)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C22H21ClN4O4/c1-29-18-11-19(30-2)15(10-14(18)23)24-22(28)27-16-6-4-3-5-13(16)9-17(27)21-25-20(26-31-21)12-7-8-12/h3-6,10-12,17H,7-9H2,1-2H3,(H,24,28)/t17-/m0/s1

InChI Key

OIXVMBXKDWWHOY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29004565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.370

Water Solubility, LogSw

-5.93

Polar Surface Area

70.578

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

S219-0701 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S219-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S219-0701?
Check Price and Availability of S219-0701, 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 S219-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S219-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S219-0701
  • 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 S219-0701 available by request