D231-0109 Screening compound: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole

D231-0109 Screening compound: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
D231-0109 Screening compound: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D231-0109
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(2-fluorophenyl)-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

D231-0109

Molecular Formula

C17H14ClFN2O2 (C17 H14 ClFN2 O2)

Compound Name

3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole

IUPAC name

3-[(4-chloro-35-dimethylphenoxy)methyl]-5-(2-fluorophenyl)-124-oxadiazole

SMILES

Cc1cc(OCc2noc(-c(cccc3)c3F)n2)cc(C)c1Cl

InChI

InChI=1S/C17H14ClFN2O2/c1-10-7-12(8-11(2)16(10)18)22-9-15-20-17(23-21-15)13-5-3-4-6-14(13)19/h3-8H,9H2,1-2H3

InChI Key

JHQLMTDWCVMMNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12015475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

5.081

Water Solubility, LogSw

-5.41

Polar Surface Area

40.134

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with D231-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D231-0109?
Check Price and Availability of D231-0109, 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 D231-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D231-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D231-0109
  • 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 D231-0109 available by request