P891-0376 Screening compound: 3-cyclopropyl-5-{2-[4-(4-vinylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-1,2,4-oxadiazole

P891-0376 Screening compound: 3-cyclopropyl-5-{2-[4-(4-vinylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-1,2,4-oxadiazole
P891-0376 Screening compound: 3-cyclopropyl-5-{2-[4-(4-vinylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-0376
3-cyclopropyl-5-{2-[4-(4-vinylbenzyl)-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

P891-0376

Molecular Formula

C24H27N5O (C24 H27 N5 O)

Compound Name

3-cyclopropyl-5-{2-[4-(4-vinylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-1,2,4-oxadiazole

IUPAC name

1-[3-(3-cyclopropyl-124-oxadiazol-5-yl)pyridin-2-yl]-4-[(4-ethenylphenyl)methyl]-14-diazepane

SMILES

C=Cc1ccc(CN(CCC2)CCN2c(nccc2)c2-c2nc(C3CC3)no2)cc1

InChI

InChI=1S/C24H27N5O/c1-2-18-6-8-19(9-7-18)17-28-13-4-14-29(16-15-28)23-21(5-3-12-25-23)24-26-22(27-30-24)20-10-11-20/h2-3,5-9,12,20H,1,4,10-11,13-17H2

InChI Key

LPHSSBDWMYPOMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.49

Polar Surface Area

48.472

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

P891-0376 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P891-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-0376?
Check Price and Availability of P891-0376, 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 P891-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-0376
  • 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 P891-0376 available by request