F389-0666 Screening compound: (2Z)-2-[(3-chlorophenyl)methylidene]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

F389-0666 Screening compound: (2Z)-2-[(3-chlorophenyl)methylidene]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
F389-0666 Screening compound: (2Z)-2-[(3-chlorophenyl)methylidene]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0666
(2Z)-2-[(3-chlorophenyl)methylidene]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-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

F389-0666

Molecular Formula

C25H21ClN4O3 (C25 H21 ClN4 O3)

Compound Name

(2Z)-2-[(3-chlorophenyl)methylidene]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2Z)-2-[(3-chlorophenyl)methylidene]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C\c1cccc(Cl)c1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C25H21ClN4O3/c26-19-5-3-4-17(14-19)15-22-24(31)28-20-16-18(7-8-21(20)33-22)25(32)30-12-10-29(11-13-30)23-6-1-2-9-27-23/h1-9,14-16H,10-13H2,(H,28,31)

InChI Key

FNMKQESGLINRQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.67

Polar Surface Area

61.228

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with F389-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0666?
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What is the minimum amount of F389-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0666
  • 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 F389-0666 available by request