F389-0096 Screening compound: (2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0096 Screening compound: (2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0096 Screening compound: (2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0096
(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-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

F389-0096

Molecular Formula

C26H21ClN2O3 (C26 H21 ClN2 O3)

Compound Name

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

IUPAC name

(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(1234-tetrahydronaphthalen-1-yl)-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C\c(cc1)ccc1Cl)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C26H21ClN2O3/c27-19-11-8-16(9-12-19)14-24-26(31)29-22-15-18(10-13-23(22)32-24)25(30)28-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-15,21H,3,5,7H2,(H,28,30)(H,29,31)/t21-/m0/s1

InChI Key

XAEZAKNCAGLXEQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14952860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.92

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

5.600

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-6.24

Polar Surface Area

57.065

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

F389-0096 in Drug Discovery

Included in Screening Libraries

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 F389-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0096?
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What is the minimum amount of F389-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0096
  • 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 F389-0096 available by request