P166-1611 Screening compound: 1-[5-(5-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridin-2-yl]azepane

P166-1611 Screening compound: 1-[5-(5-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridin-2-yl]azepane
P166-1611 Screening compound: 1-[5-(5-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridin-2-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-1611
1-[5-(5-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridin-2-yl]azepane

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

P166-1611

Molecular Formula

C24H29FN6O (C24 H29 FN6 O)

Compound Name

1-[5-(5-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridin-2-yl]azepane

IUPAC name

1-[5-(5-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-124-oxadiazol-3-yl)pyridin-2-yl]azepane

SMILES

Fc(cccc1)c1N1CCN(Cc2nc(-c(cc3)cnc3N3CCCCCC3)no2)CC1

InChI

InChI=1S/C24H29FN6O/c25-20-7-3-4-8-21(20)30-15-13-29(14-16-30)18-23-27-24(28-32-23)19-9-10-22(26-17-19)31-11-5-1-2-6-12-31/h3-4,7-10,17H,1-2,5-6,11-16,18H2

InChI Key

CRVZNUVQJUFZOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.59

Polar Surface Area

50.658

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

P166-1611 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P166-1611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-1611?
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What is the minimum amount of P166-1611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-1611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-1611
  • 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 P166-1611 available by request