K788-3756 Screening compound: N-{3-[methyl(phenyl)amino]propyl}-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-3756 Screening compound: N-{3-[methyl(phenyl)amino]propyl}-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-3756 Screening compound: N-{3-[methyl(phenyl)amino]propyl}-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3756
N-{3-[methyl(phenyl)amino]propyl}-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

K788-3756

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

N-{3-[methyl(phenyl)amino]propyl}-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-{3-[methyl(phenyl)amino]propyl}-4-{[(2E)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

CN(CCCNC(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)=O)c1ccccc1

InChI

InChI=1S/C26H25N3O2S/c1-29(21-8-3-2-4-9-21)17-7-16-27-25(30)20-14-12-19(13-15-20)18-24-26(31)28-22-10-5-6-11-23(22)32-24/h2-6,8-15,18H,7,16-17H2,1H3,(H,27,30)(H,28,31)

InChI Key

CMULXMISFSWUDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-3.97

Polar Surface Area

52.304

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K788-3756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3756?
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What is the minimum amount of K788-3756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3756
  • 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 K788-3756 available by request