2743-1111 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(4-propoxyphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

2743-1111 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(4-propoxyphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
2743-1111 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(4-propoxyphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-1111
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(4-propoxyphenyl)-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

2743-1111

Molecular Formula

C31H32F3N3O5S (C31 H32 F3 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1NC(C(CC(N1CCc(cc2)cc(OC)c2OC)=O)S/C1=N\c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C31H32F3N3O5S/c1-4-16-42-24-11-9-22(10-12-24)35-29(39)27-19-28(38)37(15-14-20-8-13-25(40-2)26(17-20)41-3)30(43-27)36-23-7-5-6-21(18-23)31(32,33)34/h5-13,17-18,27H,4,14-16,19H2,1-3H3,(H,35,39)/t27-/m0/s1

InChI Key

IUEZLCVTYUBOCK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02145638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.330

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-5.56

Polar Surface Area

70.796

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with 2743-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-1111?
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What is the minimum amount of 2743-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-1111
  • 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 2743-1111 available by request