P891-0368 Screening compound: 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-[(3-methylphenyl)methyl]-1,4-diazepane

P891-0368 Screening compound: 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-[(3-methylphenyl)methyl]-1,4-diazepane
P891-0368 Screening compound: 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-[(3-methylphenyl)methyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-0368
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-[(3-methylphenyl)methyl]-1,4-diazepane

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

P891-0368

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-[(3-methylphenyl)methyl]-1,4-diazepane

IUPAC name

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

SMILES

Cc1cccc(CN(CCC2)CCN2c(nccc2)c2-c2nc(C3CC3)no2)c1

InChI

InChI=1S/C23H27N5O/c1-17-5-2-6-18(15-17)16-27-11-4-12-28(14-13-27)22-20(7-3-10-24-22)23-25-21(26-29-23)19-8-9-19/h2-3,5-7,10,15,19H,4,8-9,11-14,16H2,1H3

InChI Key

KEKMBOFRNURNAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026933

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

389.5

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

4.674

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.39

Polar Surface Area

48.472

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P891-0368 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 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:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P891-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-0368?
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What is the minimum amount of P891-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-0368
  • 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 P891-0368 available by request