P891-0115 Screening compound: 3-ETHYL-5-{2-[4-(4-FLUOROBENZYL)-1,4-DIAZEPAN-1-YL]-3-PYRIDYL}-1,2,4-OXADIAZOLE

P891-0115 Screening compound: 3-ETHYL-5-{2-[4-(4-FLUOROBENZYL)-1,4-DIAZEPAN-1-YL]-3-PYRIDYL}-1,2,4-OXADIAZOLE
P891-0115 Screening compound: 3-ETHYL-5-{2-[4-(4-FLUOROBENZYL)-1,4-DIAZEPAN-1-YL]-3-PYRIDYL}-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-0115
3-ETHYL-5-{2-[4-(4-FLUOROBENZYL)-1,4-DIAZEPAN-1-YL]-3-PYRIDYL}-1,2,4-OXADIAZOLE

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

P891-0115

Molecular Formula

C21H24FN5O (C21 H24 FN5 O)

Compound Name

3-ETHYL-5-{2-[4-(4-FLUOROBENZYL)-1,4-DIAZEPAN-1-YL]-3-PYRIDYL}-1,2,4-OXADIAZOLE

IUPAC name

n/a

SMILES

CCc1noc(-c2cccnc2N2CCN(Cc(cc3)ccc3F)CCC2)n1

InChI

InChI=1S/C21H24FN5O/c1-2-19-24-21(28-25-19)18-5-3-10-23-20(18)27-12-4-11-26(13-14-27)15-16-6-8-17(22)9-7-16/h3,5-10H,2,4,11-15H2,1H3

InChI Key

FPSIQUVIMHMCGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026432

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.74

Polar Surface Area

49.211

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P891-0115 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P891-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-0115?
Check Price and Availability of P891-0115, 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 P891-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-0115
  • 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 P891-0115 available by request