F389-0821 Screening compound: (2E)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F389-0821 Screening compound: (2E)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F389-0821 Screening compound: (2E)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0821
(2E)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

F389-0821

Molecular Formula

C26H22ClN3O3 (C26 H22 ClN3 O3)

Compound Name

(2E)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C/c1ccccc1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C26H22ClN3O3/c27-20-7-4-8-21(17-20)29-11-13-30(14-12-29)26(32)19-9-10-23-22(16-19)28-25(31)24(33-23)15-18-5-2-1-3-6-18/h1-10,15-17H,11-14H2,(H,28,31)

InChI Key

LGJPQTFBVVLXFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.87

Polar Surface Area

52.716

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F389-0821 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F389-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0821?
Check Price and Availability of F389-0821, 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 F389-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0821
  • 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 F389-0821 available by request