P767-0230 Screening compound: 5-[5-(2-chloropyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole

P767-0230 Screening compound: 5-[5-(2-chloropyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole
P767-0230 Screening compound: 5-[5-(2-chloropyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P767-0230
5-[5-(2-chloropyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole

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

P767-0230

Molecular Formula

C20H19ClN6O (C20 H19 ClN6 O)

Compound Name

5-[5-(2-chloropyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole

IUPAC name

5-[5-(2-chloropyridin-4-yl)-124-oxadiazol-3-yl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-13-benzodiazole

SMILES

Clc1nccc(-c2nc(-c(cc3)cc4c3n(CCN3CCCC3)cn4)no2)c1

InChI

InChI=1S/C20H19ClN6O/c21-18-12-15(5-6-22-18)20-24-19(25-28-20)14-3-4-17-16(11-14)23-13-27(17)10-9-26-7-1-2-8-26/h3-6,11-13H,1-2,7-10H2

InChI Key

QSZOWXKMZQUSTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-3.67

Polar Surface Area

55.071

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P767-0230 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P767-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P767-0230?
Check Price and Availability of P767-0230, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P767-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P767-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P767-0230
  • 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 P767-0230 available by request