K786-5952 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-5952 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-5952 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-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 K786-5952
N-{2-[benzyl(methyl)amino]ethyl}-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

K786-5952

Molecular Formula

C24H30N4O5S2 (C24 H30 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(CCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)=O)Cc1ccccc1

InChI

InChI=1S/C24H30N4O5S2/c1-26(16-19-5-3-2-4-6-19)10-9-25-23(29)17-28-21-15-20(7-8-22(21)34-18-24(28)30)35(31,32)27-11-13-33-14-12-27/h2-8,15H,9-14,16-18H2,1H3,(H,25,29)

InChI Key

USFVHBJGWAKQSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.332

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-2.54

Polar Surface Area

83.645

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K786-5952 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5952?
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What is the minimum amount of K786-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5952
  • 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 K786-5952 available by request