2743-1109 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

2743-1109 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
2743-1109 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-1109
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-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

2743-1109

Molecular Formula

C28H26F3N3O4S (C28 H26 F3 N3 O4 S)

Compound Name

(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-[2-(34-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-13-thiazinane-6-carboxamide

SMILES

COc(ccc(CCN(C(CC(C(Nc1ccccc1)=O)S1)=O)/C1=N/c1cc(C(F)(F)F)ccc1)c1)c1OC

InChI

InChI=1S/C28H26F3N3O4S/c1-37-22-12-11-18(15-23(22)38-2)13-14-34-25(35)17-24(26(36)32-20-8-4-3-5-9-20)39-27(34)33-21-10-6-7-19(16-21)28(29,30)31/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,36)/t24-/m0/s1

InChI Key

KHHIGOKHZWQCEZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02145629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

5.179

Water Solubility, LogSw

-5.11

Polar Surface Area

63.378

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2743-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-1109?
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What is the minimum amount of 2743-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-1109
  • 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 2743-1109 available by request