K786-6059 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K786-6059 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K786-6059 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6059
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-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

K786-6059

Molecular Formula

C26H30N4O7S2 (C26 H30 N4 O7 S2)

Compound Name

4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

4-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C26H30N4O7S2/c31-25(28-7-5-27(6-8-28)15-19-1-3-22-23(13-19)37-18-36-22)16-30-21-14-20(2-4-24(21)38-17-26(30)32)39(33,34)29-9-11-35-12-10-29/h1-4,13-14H,5-12,15-18H2

InChI Key

PYPBSBAADQBBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.68

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.49

Polar Surface Area

92.287

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K786-6059 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 K786-6059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6059?
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What is the minimum amount of K786-6059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6059
  • 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 K786-6059 available by request