4953-1059 Screening compound: 4-{5-[(4-bromo-2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

4953-1059 Screening compound: 4-{5-[(4-bromo-2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
4953-1059 Screening compound: 4-{5-[(4-bromo-2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1059
4-{5-[(4-bromo-2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

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

4953-1059

Molecular Formula

C14H9BrClN3O2 (C14 H9 BrClN3 O2)

Compound Name

4-{5-[(4-bromo-2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

4-{5-[(4-bromo-2-chlorophenoxy)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

Clc(cc(cc1)Br)c1OCc1nc(-c2ccncc2)no1

InChI

InChI=1S/C14H9BrClN3O2/c15-10-1-2-12(11(16)7-10)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2

InChI Key

KHGWYNSOOPVZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03138975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.6

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

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.44

Polar Surface Area

48.324

Acid Dissociation Constant (pKa)

31.04

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4953-1059 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4953-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1059?
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What is the minimum amount of 4953-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1059
  • 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 4953-1059 available by request