F621-0129 Screening compound: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

F621-0129 Screening compound: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
F621-0129 Screening compound: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F621-0129
4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

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

F621-0129

Molecular Formula

C17H13N3O3 (C17 H13 N3 O3)

Compound Name

4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

4-[(5-phenyl-124-oxadiazol-3-yl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1N(Cc2noc(-c3ccccc3)n2)c(cccc2)c2OC1

InChI

InChI=1S/C17H13N3O3/c21-16-11-22-14-9-5-4-8-13(14)20(16)10-15-18-17(23-19-15)12-6-2-1-3-7-12/h1-9H,10-11H2

InChI Key

WUBAECQMTWUOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27179283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-2.65

Polar Surface Area

56.736

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

F621-0129 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F621-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F621-0129?
Check Price and Availability of F621-0129, 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 F621-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F621-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F621-0129
  • 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 F621-0129 available by request