6322-0058 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

6322-0058 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
6322-0058 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6322-0058
5-[(4-chloro-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

6322-0058

Molecular Formula

C20H16ClN3O2 (C20 H16 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)Cl)c1OCc1nc(-c(cc2)ccc2-n2cccc2)no1

InChI

InChI=1S/C20H16ClN3O2/c1-14-12-16(21)6-9-18(14)25-13-19-22-20(23-26-19)15-4-7-17(8-5-15)24-10-2-3-11-24/h2-12H,13H2,1H3

InChI Key

FQRLLTPNOBATOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.82

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

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-6.38

Polar Surface Area

42.881

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6322-0058 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6322-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6322-0058?
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What is the minimum amount of 6322-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6322-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6322-0058
  • 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 6322-0058 available by request