K786-5947 Screening compound: N-[3-(azepan-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-5947 Screening compound: N-[3-(azepan-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-5947 Screening compound: N-[3-(azepan-1-yl)propyl]-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 K786-5947
N-[3-(azepan-1-yl)propyl]-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

K786-5947

Molecular Formula

C23H34N4O5S2 (C23 H34 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)NCCCN1CCCCCC1

InChI

InChI=1S/C23H34N4O5S2/c28-22(24-8-5-11-25-9-3-1-2-4-10-25)17-27-20-16-19(6-7-21(20)33-18-23(27)29)34(30,31)26-12-14-32-15-13-26/h6-7,16H,1-5,8-15,17-18H2,(H,24,28)

InChI Key

WVNDOQNQVSXGDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.68

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

1.426

Distribution Coefficient, logD

-1.203

Water Solubility, LogSw

-2.57

Polar Surface Area

83.865

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

References: we are preparing a list of scientific research reports with K786-5947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5947?
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What is the minimum amount of K786-5947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5947
  • 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 K786-5947 available by request