5593-2199 Screening compound: (2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide

5593-2199 Screening compound: (2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
5593-2199 Screening compound: (2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2199
(2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-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

5593-2199

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

(2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-13-thiazinane-6-carboxamide

SMILES

CCNC(C(CC(N1CCCc2ccccc2)=O)S/C1=N\c1ccccc1)=O

InChI

InChI=1S/C22H25N3O2S/c1-2-23-21(27)19-16-20(26)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,27)/t19-/m0/s1

InChI Key

ZJNQELDZLWEYPN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02144636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.88

Polar Surface Area

49.336

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5593-2199 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with 5593-2199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2199?
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What is the minimum amount of 5593-2199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2199
  • 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 5593-2199 available by request