F389-0641 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[2-(1H-imidazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0641 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[2-(1H-imidazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0641 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[2-(1H-imidazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0641
(2E)-2-[(3-chlorophenyl)methylidene]-N-[2-(1H-imidazol-4-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

F389-0641

Molecular Formula

C21H17ClN4O3 (C21 H17 ClN4 O3)

Compound Name

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

IUPAC name

(2E)-2-[(3-chlorophenyl)methylidene]-N-[2-(1H-imidazol-4-yl)ethyl]-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C/c1cccc(Cl)c1)NCCc1c[nH]cn1

InChI

InChI=1S/C21H17ClN4O3/c22-15-3-1-2-13(8-15)9-19-21(28)26-17-10-14(4-5-18(17)29-19)20(27)24-7-6-16-11-23-12-25-16/h1-5,8-12H,6-7H2,(H,23,25)(H,24,27)(H,26,28)

InChI Key

KPKQNCVLMQAUHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.74

Polar Surface Area

78.856

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F389-0641 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 F389-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0641?
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What is the minimum amount of F389-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0641
  • 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 F389-0641 available by request