C700-0148 Screening compound: (2E)-N-{3-[butyl(methyl)amino]propyl}-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0148 Screening compound: (2E)-N-{3-[butyl(methyl)amino]propyl}-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0148 Screening compound: (2E)-N-{3-[butyl(methyl)amino]propyl}-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0148
(2E)-N-{3-[butyl(methyl)amino]propyl}-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

C700-0148

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

(2E)-N-{3-[butyl(methyl)amino]propyl}-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-{3-[butyl(methyl)amino]propyl}-2-[(4-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCCCN(C)CCCNC(c(cc1)cc(NC2=O)c1S/C2=C/c1ccc(C)cc1)=O

InChI

InChI=1S/C25H31N3O2S/c1-4-5-14-28(3)15-6-13-26-24(29)20-11-12-22-21(17-20)27-25(30)23(31-22)16-19-9-7-18(2)8-10-19/h7-12,16-17H,4-6,13-15H2,1-3H3,(H,26,29)(H,27,30)

InChI Key

QLOHBZGXUKNNPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.694

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-4.17

Polar Surface Area

53.443

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C700-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0148?
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What is the minimum amount of C700-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0148
  • 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 C700-0148 available by request