2743-0829 Screening compound: (2Z)-N-(4-fluorophenyl)-2-[(3-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

2743-0829 Screening compound: (2Z)-N-(4-fluorophenyl)-2-[(3-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
2743-0829 Screening compound: (2Z)-N-(4-fluorophenyl)-2-[(3-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-0829
(2Z)-N-(4-fluorophenyl)-2-[(3-methoxyphenyl)imino]-3-methyl-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

2743-0829

Molecular Formula

C19H18FN3O3S (C19 H18 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(CC(C(Nc(cc1)ccc1F)=O)S1)=O)/C1=N/c1cc(OC)ccc1

InChI

InChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-13-8-6-12(20)7-9-13)27-19(23)22-14-4-3-5-15(10-14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/t16-/m0/s1

InChI Key

LUKHVYWOHOTHHJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02146913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.61

Polar Surface Area

55.720

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

2743-0829 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 2743-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-0829?
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What is the minimum amount of 2743-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-0829
  • 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 2743-0829 available by request