5631-0398 Screening compound: 5-[2-(4-chlorophenoxy)propan-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5631-0398 Screening compound: 5-[2-(4-chlorophenoxy)propan-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
5631-0398 Screening compound: 5-[2-(4-chlorophenoxy)propan-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5631-0398
5-[2-(4-chlorophenoxy)propan-2-yl]-3-(4-methylphenyl)-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

5631-0398

Molecular Formula

C18H17ClN2O2 (C18 H17 ClN2 O2)

Compound Name

5-[2-(4-chlorophenoxy)propan-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

IUPAC name

5-[2-(4-chlorophenoxy)propan-2-yl]-3-(4-methylphenyl)-124-oxadiazole

SMILES

CC(C)(c1nc(-c2ccc(C)cc2)no1)Oc(cc1)ccc1Cl

InChI

InChI=1S/C18H17ClN2O2/c1-12-4-6-13(7-5-12)16-20-17(23-21-16)18(2,3)22-15-10-8-14(19)9-11-15/h4-11H,1-3H3

InChI Key

VKKDVCQHGCHWBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03785436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.8

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

5.773

Distribution Coefficient, logD

5.773

Water Solubility, LogSw

-6.31

Polar Surface Area

37.864

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5631-0398 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5631-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5631-0398?
Check Price and Availability of 5631-0398, 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 5631-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5631-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5631-0398
  • 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 5631-0398 available by request