P891-0264 Screening compound: 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane

P891-0264 Screening compound: 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
P891-0264 Screening compound: 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-0264
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-{[3-(trifluoromethyl)phenyl]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

P891-0264

Molecular Formula

C23H26F3N5O (C23 H26 F3 N5 O)

Compound Name

1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane

IUPAC name

1-[3-(3-propyl-124-oxadiazol-5-yl)pyridin-2-yl]-4-{[3-(trifluoromethyl)phenyl]methyl}-14-diazepane

SMILES

CCCc1noc(-c2cccnc2N2CCN(Cc3cccc(C(F)(F)F)c3)CCC2)n1

InChI

InChI=1S/C23H26F3N5O/c1-2-6-20-28-22(32-29-20)19-9-4-10-27-21(19)31-12-5-11-30(13-14-31)16-17-7-3-8-18(15-17)23(24,25)26/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3

InChI Key

IFVXCBQHKDOSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.62

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

43.50

P891-0264 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with P891-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-0264?
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What is the minimum amount of P891-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-0264
  • 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 P891-0264 available by request