8525-0318 Screening compound: N-(4-fluorophenyl)-2-(2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetamide

8525-0318 Screening compound: N-(4-fluorophenyl)-2-(2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetamide
8525-0318 Screening compound: N-(4-fluorophenyl)-2-(2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0318
N-(4-fluorophenyl)-2-(2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetamide

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

8525-0318

Molecular Formula

C16H13FN2O3 (C16 H13 FN2 O3)

Compound Name

N-(4-fluorophenyl)-2-(2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetamide

IUPAC name

N-(4-fluorophenyl)-2-(2-oxo-34-dihydro-2H-14-benzoxazin-3-yl)acetamide

SMILES

O=C(CC1Nc(cccc2)c2OC1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C16H13FN2O3/c17-10-5-7-11(8-6-10)18-15(20)9-13-16(21)22-14-4-2-1-3-12(14)19-13/h1-8,13,19H,9H2,(H,18,20)/t13-/m0/s1

InChI Key

LEIGFPDMVUOBIE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08075764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.86

Polar Surface Area

56.291

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8525-0318 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8525-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0318?
Check Price and Availability of 8525-0318, 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 8525-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0318
  • 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 8525-0318 available by request