4514-0277 Screening compound: (2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide

4514-0277 Screening compound: (2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
4514-0277 Screening compound: (2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0277
(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-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

4514-0277

Molecular Formula

C15H18ClN3O2S (C15 H18 ClN3 O2 S)

Compound Name

(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-13-thiazinane-6-carboxamide

SMILES

CCN(C(CC(C(Nc1cccc(Cl)c1)=O)S1)=O)/C1=N/CC

InChI

InChI=1S/C15H18ClN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-6-10(16)8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/t12-/m0/s1

InChI Key

XGQLTKNFSZOXLH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03057271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.53

Polar Surface Area

48.551

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4514-0277 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4514-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0277?
Check Price and Availability of 4514-0277, 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 4514-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0277
  • 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 4514-0277 available by request