P668-0031 Screening compound: 3-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]-5-(PHENOXYMETHYL)-1,2,4-OXADIAZOLE

P668-0031 Screening compound: 3-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]-5-(PHENOXYMETHYL)-1,2,4-OXADIAZOLE
P668-0031 Screening compound: 3-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]-5-(PHENOXYMETHYL)-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound P668-0031
3-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]-5-(PHENOXYMETHYL)-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

P668-0031

Molecular Formula

C20H17N3O3 (C20 H17 N3 O3)

Compound Name

3-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]-5-(PHENOXYMETHYL)-1,2,4-OXADIAZOLE

IUPAC name

n/a

SMILES

Cc1c(Cc2noc(COc3ccccc3)n2)nc(-c2ccccc2)o1

InChI

InChI=1S/C20H17N3O3/c1-14-17(21-20(25-14)15-8-4-2-5-9-15)12-18-22-19(26-23-18)13-24-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3

InChI Key

DMORPBQBRFUCBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.18

Polar Surface Area

57.922

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P668-0031 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P668-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P668-0031?
Check Price and Availability of P668-0031, 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 P668-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P668-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P668-0031
  • 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 P668-0031 available by request