2742-4798 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

2742-4798 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
2742-4798 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2742-4798
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-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

2742-4798

Molecular Formula

C28H28FN3O5S (C28 H28 FN3 O5 S)

Compound Name

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

IUPAC name

(2Z)-3-[2-(34-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-13-thiazinane-6-carboxamide

SMILES

COc(cc1)ccc1NC(C(CC(N1CCc(cc2)cc(OC)c2OC)=O)S/C1=N\c(cc1)ccc1F)=O

InChI

InChI=1S/C28H28FN3O5S/c1-35-22-11-9-20(10-12-22)30-27(34)25-17-26(33)32(28(38-25)31-21-7-5-19(29)6-8-21)15-14-18-4-13-23(36-2)24(16-18)37-3/h4-13,16,25H,14-15,17H2,1-3H3,(H,30,34)/t25-/m0/s1

InChI Key

CWUVJQKOMLPILV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02144435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.28

Polar Surface Area

70.922

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2742-4798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2742-4798?
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What is the minimum amount of 2742-4798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2742-4798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2742-4798
  • 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 2742-4798 available by request