P086-1614 Screening compound: 1-[2-(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(3,5-DIMETHYL-4-ISOXAZOLYL)-1-ETHANONE

P086-1614 Screening compound: 1-[2-(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(3,5-DIMETHYL-4-ISOXAZOLYL)-1-ETHANONE
P086-1614 Screening compound: 1-[2-(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(3,5-DIMETHYL-4-ISOXAZOLYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P086-1614
1-[2-(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(3,5-DIMETHYL-4-ISOXAZOLYL)-1-ETHANONE

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

P086-1614

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

1-[2-(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(3,5-DIMETHYL-4-ISOXAZOLYL)-1-ETHANONE

IUPAC name

n/a

SMILES

Cc1noc(C)c1CC(N(C(C1)c2nnc(C3CC3)o2)c2c1cccc2)=O

InChI

InChI=1S/C20H20N4O3/c1-11-15(12(2)27-23-11)10-18(25)24-16-6-4-3-5-14(16)9-17(24)20-22-21-19(26-20)13-7-8-13/h3-6,13,17H,7-10H2,1-2H3/t17-/m0/s1

InChI Key

AZZPWBVIJLEGDU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28994508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.22

Polar Surface Area

67.543

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

P086-1614 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Bromodomain Modulators Library (5801 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

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

References: we are preparing a list of scientific research reports with P086-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P086-1614?
Check Price and Availability of P086-1614, 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 P086-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P086-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P086-1614
  • 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 P086-1614 available by request