6322-0062 Screening compound: 5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

6322-0062 Screening compound: 5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
6322-0062 Screening compound: 5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6322-0062
5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

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

6322-0062

Molecular Formula

C20H17N3O2 (C20 H17 N3 O2)

Compound Name

5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-124-oxadiazole

SMILES

Cc(cccc1)c1OCc1nc(-c(cc2)ccc2-n2cccc2)no1

InChI

InChI=1S/C20H17N3O2/c1-15-6-2-3-7-18(15)24-14-19-21-20(22-25-19)16-8-10-17(11-9-16)23-12-4-5-13-23/h2-13H,14H2,1H3

InChI Key

BXKWITAKLZCLFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07606848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.45

Polar Surface Area

42.881

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6322-0062 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6322-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6322-0062?
Check Price and Availability of 6322-0062, 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 6322-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6322-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6322-0062
  • 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 6322-0062 available by request