F389-0549 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0549 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0549 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0549
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-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

F389-0549

Molecular Formula

C28H26ClN3O3 (C28 H26 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C\c(cccc1)c1Cl)NCCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C28H26ClN3O3/c29-23-9-4-3-7-20(23)17-26-28(34)31-24-16-21(10-11-25(24)35-26)27(33)30-13-5-14-32-15-12-19-6-1-2-8-22(19)18-32/h1-4,6-11,16-17H,5,12-15,18H2,(H,30,33)(H,31,34)

InChI Key

TYTNAWDAJDOLNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-5.10

Polar Surface Area

60.707

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

F389-0549 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 F389-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0549?
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What is the minimum amount of F389-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0549
  • 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 F389-0549 available by request