F389-0561 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-[2-(furan-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0561 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-[2-(furan-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0561 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-[2-(furan-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0561
(2Z)-2-[(2-chlorophenyl)methylidene]-N-[2-(furan-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

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

F389-0561

Molecular Formula

C22H17ClN2O4 (C22 H17 ClN2 O4)

Compound Name

(2Z)-2-[(2-chlorophenyl)methylidene]-N-[2-(furan-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

(2Z)-2-[(2-chlorophenyl)methylidene]-N-[2-(furan-2-yl)ethyl]-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C\c(cccc1)c1Cl)NCCc1ccco1

InChI

InChI=1S/C22H17ClN2O4/c23-17-6-2-1-4-14(17)13-20-22(27)25-18-12-15(7-8-19(18)29-20)21(26)24-10-9-16-5-3-11-28-16/h1-8,11-13H,9-10H2,(H,24,26)(H,25,27)

InChI Key

CIBJVBSWCDJWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.44

Polar Surface Area

64.811

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F389-0561 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F389-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0561?
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What is the minimum amount of F389-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0561
  • 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 F389-0561 available by request