5593-2181 Screening compound: (2Z)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide

5593-2181 Screening compound: (2Z)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
5593-2181 Screening compound: (2Z)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2181
(2Z)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-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

5593-2181

Molecular Formula

C21H22FN3O3S (C21 H22 FN3 O3 S)

Compound Name

(2Z)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-13-thiazinane-6-carboxamide

SMILES

CCNC(C(CC(N1Cc(cc2)ccc2F)=O)S/C1=N\c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H22FN3O3S/c1-3-23-20(27)18-12-19(26)25(13-14-4-6-15(22)7-5-14)21(29-18)24-16-8-10-17(28-2)11-9-16/h4-11,18H,3,12-13H2,1-2H3,(H,23,27)/t18-/m0/s1

InChI Key

LMLAXPPOLPNFGW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02144694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.40

Polar Surface Area

56.902

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5593-2181 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5593-2181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2181?
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What is the minimum amount of 5593-2181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2181
  • 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 5593-2181 available by request