K786-6048 Screening compound: 2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

K786-6048 Screening compound: 2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
K786-6048 Screening compound: 2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6048
2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

K786-6048

Molecular Formula

C21H28N4O6S2 (C21 H28 N4 O6 S2)

Compound Name

2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)NCCCN(CCC1)C1=O

InChI

InChI=1S/C21H28N4O6S2/c26-19(22-6-2-8-23-7-1-3-20(23)27)14-25-17-13-16(4-5-18(17)32-15-21(25)28)33(29,30)24-9-11-31-12-10-24/h4-5,13H,1-3,6-12,14-15H2,(H,22,26)

InChI Key

RMOZKGNOXKGCLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.549

Distribution Coefficient, logD

-0.549

Water Solubility, LogSw

-2.33

Polar Surface Area

97.064

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with K786-6048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6048?
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What is the minimum amount of K786-6048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6048
  • 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 K786-6048 available by request