F389-0952 Screening compound: (2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0952 Screening compound: (2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0952 Screening compound: (2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0952
(2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(propylsulfanyl)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

F389-0952

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

(2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

(2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(propylsulfanyl)propyl]-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CCCSCCCNC(c(cc1)cc(NC2=O)c1O/C2=C\c1ccccc1)=O

InChI

InChI=1S/C22H24N2O3S/c1-2-12-28-13-6-11-23-21(25)17-9-10-19-18(15-17)24-22(26)20(27-19)14-16-7-4-3-5-8-16/h3-5,7-10,14-15H,2,6,11-13H2,1H3,(H,23,25)(H,24,26)

InChI Key

DWZLDXDBJXTWKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-3.99

Polar Surface Area

57.334

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with F389-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0952?
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What is the minimum amount of F389-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0952
  • 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 F389-0952 available by request