K786-6043 Screening compound: 6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K786-6043 Screening compound: 6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K786-6043 Screening compound: 6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6043
6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K786-6043

Molecular Formula

C25H27F3N4O5S2 (C25 H27 F3 N4 O5 S2)

Compound Name

6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H27F3N4O5S2/c26-25(27,28)18-2-1-3-19(14-18)29-6-8-30(9-7-29)23(33)16-32-21-15-20(4-5-22(21)38-17-24(32)34)39(35,36)31-10-12-37-13-11-31/h1-5,14-15H,6-13,16-17H2

InChI Key

WEQICSKUWPEGOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-2.91

Polar Surface Area

74.891

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K786-6043 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-6043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6043?
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What is the minimum amount of K786-6043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6043
  • 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 K786-6043 available by request