C700-0652 Screening compound: (2E)-N-(3-ethoxypropyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0652 Screening compound: (2E)-N-(3-ethoxypropyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0652 Screening compound: (2E)-N-(3-ethoxypropyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0652
(2E)-N-(3-ethoxypropyl)-2-[(3-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

C700-0652

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c(cc1)cc(NC2=O)c1S/C2=C/c1cc(C)ccc1)=O

InChI

InChI=1S/C22H24N2O3S/c1-3-27-11-5-10-23-21(25)17-8-9-19-18(14-17)24-22(26)20(28-19)13-16-7-4-6-15(2)12-16/h4,6-9,12-14H,3,5,10-11H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

HZYIBLAEVMMHON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

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

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.02

Polar Surface Area

57.348

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C700-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0652?
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What is the minimum amount of C700-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0652
  • 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 C700-0652 available by request