C791-0321 Screening compound: N-[(3-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

C791-0321 Screening compound: N-[(3-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
C791-0321 Screening compound: N-[(3-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0321
N-[(3-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-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

C791-0321

Molecular Formula

C16H13FN2O3 (C16 H13 FN2 O3)

Compound Name

N-[(3-fluorophenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-[(3-fluorophenyl)methyl]-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)NCc1cccc(F)c1

InChI

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

InChI Key

CWTHXAGVUZRPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.346

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-2.93

Polar Surface Area

47.538

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C791-0321 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C791-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0321?
Check Price and Availability of C791-0321, 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 C791-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0321
  • 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 C791-0321 available by request