C700-0788 Screening compound: (2E)-N-[2-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0788 Screening compound: (2E)-N-[2-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0788 Screening compound: (2E)-N-[2-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0788
(2E)-N-[2-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-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

C700-0788

Molecular Formula

C27H26N2O3S (C27 H26 N2 O3 S)

Compound Name

(2E)-N-[2-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-[2-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCOc1ccc(CCNC(c(cc2)cc(NC3=O)c2S/C3=C/c2ccc(C)cc2)=O)cc1

InChI

InChI=1S/C27H26N2O3S/c1-3-32-22-11-8-19(9-12-22)14-15-28-26(30)21-10-13-24-23(17-21)29-27(31)25(33-24)16-20-6-4-18(2)5-7-20/h4-13,16-17H,3,14-15H2,1-2H3,(H,28,30)(H,29,31)

InChI Key

GUJRHKYPNRRAJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.26

Polar Surface Area

56.223

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C700-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0788?
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What is the minimum amount of C700-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0788
  • 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 C700-0788 available by request