6322-0066 Screening compound: 5-[(3,5-dimethylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

6322-0066 Screening compound: 5-[(3,5-dimethylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
6322-0066 Screening compound: 5-[(3,5-dimethylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6322-0066
5-[(3,5-dimethylphenoxy)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

6322-0066

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

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

IUPAC name

5-[(35-dimethylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-124-oxadiazole

SMILES

Cc1cc(OCc2nc(-c(cc3)ccc3-n3cccc3)no2)cc(C)c1

InChI

InChI=1S/C21H19N3O2/c1-15-11-16(2)13-19(12-15)25-14-20-22-21(23-26-20)17-5-7-18(8-6-17)24-9-3-4-10-24/h3-13H,14H2,1-2H3

InChI Key

CECMXMZLDCHADD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07606843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

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

5.704

Distribution Coefficient, logD

5.704

Water Solubility, LogSw

-5.57

Polar Surface Area

42.795

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6322-0066 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6322-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6322-0066?
Check Price and Availability of 6322-0066, 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 6322-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6322-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6322-0066
  • 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 6322-0066 available by request