C700-0861 Screening compound: (2E)-2-[(4-methylphenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0861 Screening compound: (2E)-2-[(4-methylphenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0861 Screening compound: (2E)-2-[(4-methylphenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0861
(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-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

C700-0861

Molecular Formula

C26H24N2O2S (C26 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CNC(c(cc1)cc(NC2=O)c1S/C2=C/c1ccc(C)cc1)=O)c1ccccc1

InChI

InChI=1S/C26H24N2O2S/c1-17-8-10-19(11-9-17)14-24-26(30)28-22-15-21(12-13-23(22)31-24)25(29)27-16-18(2)20-6-4-3-5-7-20/h3-15,18H,16H2,1-2H3,(H,27,29)(H,28,30)/t18-/m0/s1

InChI Key

SWWLVAFSIVBMDO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14785109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.940

Distribution Coefficient, logD

5.940

Water Solubility, LogSw

-5.54

Polar Surface Area

49.258

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C700-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0861?
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What is the minimum amount of C700-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0861
  • 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 C700-0861 available by request