P668-0380F Screening compound: N-[(3-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)methyl]benzamide

P668-0380F Screening compound: N-[(3-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)methyl]benzamide
P668-0380F Screening compound: N-[(3-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P668-0380F
N-[(3-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)methyl]benzamide

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

P668-0380F

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

N-[(3-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)methyl]benzamide

IUPAC name

N-[(3-{[5-methyl-2-(3-methylphenyl)-13-oxazol-4-yl]methyl}-124-oxadiazol-5-yl)methyl]benzamide

SMILES

Cc1c(Cc2noc(CNC(c3ccccc3)=O)n2)nc(-c2cc(C)ccc2)o1

InChI

InChI=1S/C22H20N4O3/c1-14-7-6-10-17(11-14)22-24-18(15(2)28-22)12-19-25-20(29-26-19)13-23-21(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,27)

InChI Key

NGWIKJPBQJQXHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-3.94

Polar Surface Area

75.107

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

P668-0380F in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P668-0380F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P668-0380F?
Check Price and Availability of P668-0380F, 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 P668-0380F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P668-0380F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P668-0380F
  • 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 P668-0380F available by request