2063-0413 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-1,3,4-oxadiazole

2063-0413 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-1,3,4-oxadiazole
2063-0413 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2063-0413
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-1,3,4-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

2063-0413

Molecular Formula

C15H9Cl2FN2OS (C15 H9 Cl2 FN2 OS)

Compound Name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-1,3,4-oxadiazole

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2-chlorophenyl)-134-oxadiazole

SMILES

Fc1cccc(Cl)c1CSc1nnc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C15H9Cl2FN2OS/c16-11-5-2-1-4-9(11)14-19-20-15(21-14)22-8-10-12(17)6-3-7-13(10)18/h1-7H,8H2

InChI Key

JRTRBOHWNDJTHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.748

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-5.00

Polar Surface Area

30.064

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 2063-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2063-0413?
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What is the minimum amount of 2063-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2063-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2063-0413
  • 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 2063-0413 available by request