P162-0811 Screening compound: 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

P162-0811 Screening compound: 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
P162-0811 Screening compound: 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P162-0811
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-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

P162-0811

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

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

IUPAC name

2-[5-(3-methylthiophen-2-yl)-134-oxadiazol-2-yl]-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

Cc1c(-c2nnc(CC(N(CC3)Cc4c3cccc4)=O)o2)scc1

InChI

InChI=1S/C18H17N3O2S/c1-12-7-9-24-17(12)18-20-19-15(23-18)10-16(22)21-8-6-13-4-2-3-5-14(13)11-21/h2-5,7,9H,6,8,10-11H2,1H3

InChI Key

SGHXQRRETNBNIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.03

Polar Surface Area

47.221

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P162-0811 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 P162-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P162-0811?
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What is the minimum amount of P162-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P162-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P162-0811
  • 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 P162-0811 available by request