K786-2296 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-2296 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-2296 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2296
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

K786-2296

Molecular Formula

C26H34N4O5S2 (C26 H34 N4 O5 S2)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCN(CCCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C26H34N4O5S2/c1-3-28(21-7-4-6-20(2)16-21)11-5-10-27-25(31)18-30-23-17-22(8-9-24(23)36-19-26(30)32)37(33,34)29-12-14-35-15-13-29/h4,6-9,16-17H,3,5,10-15,18-19H2,1-2H3,(H,27,31)

InChI Key

BCDJGHJJPGNJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-3.37

Polar Surface Area

82.541

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with K786-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2296?
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What is the minimum amount of K786-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2296
  • 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 K786-2296 available by request