P162-0846 Screening compound: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethan-1-one

P162-0846 Screening compound: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethan-1-one
P162-0846 Screening compound: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P162-0846
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]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

P162-0846

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethan-1-one

IUPAC name

1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-134-oxadiazol-2-yl]ethan-1-one

SMILES

Cc1c(-c2nnc(CC(N(CC3)CCN3c3cc(C)ccc3)=O)o2)scc1

InChI

InChI=1S/C20H22N4O2S/c1-14-4-3-5-16(12-14)23-7-9-24(10-8-23)18(25)13-17-21-22-20(26-17)19-15(2)6-11-27-19/h3-6,11-12H,7-10,13H2,1-2H3

InChI Key

FXGPIHTYLFPESP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

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

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-2.98

Polar Surface Area

50.819

Acid Dissociation Constant (pKa)

20.17

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P162-0846 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P162-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P162-0846?
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What is the minimum amount of P162-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P162-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P162-0846
  • 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 P162-0846 available by request