P086-1719 Screening compound: 1-(1-methyl-1H-pyrrole-2-carbonyl)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1H-indole

P086-1719 Screening compound: 1-(1-methyl-1H-pyrrole-2-carbonyl)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1H-indole
P086-1719 Screening compound: 1-(1-methyl-1H-pyrrole-2-carbonyl)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound P086-1719
1-(1-methyl-1H-pyrrole-2-carbonyl)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-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

P086-1719

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

1-(1-methyl-1H-pyrrole-2-carbonyl)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1H-indole

IUPAC name

1-(1-methyl-1H-pyrrole-2-carbonyl)-2-[5-(oxan-4-yl)-134-oxadiazol-2-yl]-23-dihydro-1H-indole

SMILES

Cn1c(C(N(C(C2)c3nnc(C4CCOCC4)o3)c3c2cccc3)=O)ccc1

InChI

InChI=1S/C21H22N4O3/c1-24-10-4-7-17(24)21(26)25-16-6-3-2-5-15(16)13-18(25)20-23-22-19(28-20)14-8-11-27-12-9-14/h2-7,10,14,18H,8-9,11-13H2,1H3/t18-/m0/s1

InChI Key

OQPHWKPIXYCIIU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29002179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.36

Polar Surface Area

56.027

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

P086-1719 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P086-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P086-1719?
Check Price and Availability of P086-1719, 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 P086-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P086-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P086-1719
  • 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 P086-1719 available by request