K786-5946 Screening compound: 2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide

K786-5946 Screening compound: 2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide
K786-5946 Screening compound: 2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5946
2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-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

K786-5946

Molecular Formula

C21H30N4O5S2 (C21 H30 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)NCCCN1CCCC1

InChI

InChI=1S/C21H30N4O5S2/c26-20(22-6-3-9-23-7-1-2-8-23)15-25-18-14-17(4-5-19(18)31-16-21(25)27)32(28,29)24-10-12-30-13-11-24/h4-5,14H,1-3,6-13,15-16H2,(H,22,26)

InChI Key

UKCBAXDOBIMJHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

-2.525

Water Solubility, LogSw

-2.48

Polar Surface Area

83.900

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with K786-5946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5946?
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What is the minimum amount of K786-5946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5946
  • 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 K786-5946 available by request