P103-1079 Screening compound: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]sulfanyl}ethan-1-one

P103-1079 Screening compound: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]sulfanyl}ethan-1-one
P103-1079 Screening compound: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P103-1079
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]sulfanyl}ethan-1-one

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

P103-1079

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(5-methyl-124-oxadiazol-3-yl)pyridin-2-yl]sulfanyl}ethan-1-one

SMILES

CCOc(cccc1)c1N(CC1)CCN1C(CSc1ncccc1-c1noc(C)n1)=O

InChI

InChI=1S/C22H25N5O3S/c1-3-29-19-9-5-4-8-18(19)26-11-13-27(14-12-26)20(28)15-31-22-17(7-6-10-23-22)21-24-16(2)30-25-21/h4-10H,3,11-15H2,1-2H3

InChI Key

CLPJULDLMROWHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.47

Polar Surface Area

66.614

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P103-1079 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P103-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P103-1079?
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What is the minimum amount of P103-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P103-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P103-1079
  • 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 P103-1079 available by request