K786-8889 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(morpholin-4-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K786-8889 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(morpholin-4-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K786-8889 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(morpholin-4-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8889
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(morpholin-4-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K786-8889

Molecular Formula

C28H36N4O3S (C28 H36 N4 O3 S)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(morpholin-4-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(morpholin-4-yl)-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1SC2N1CCOCC1)NCCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C28H36N4O3S/c33-26(29-11-4-12-31-13-9-22(10-14-31)19-21-5-2-1-3-6-21)23-7-8-25-24(20-23)30-27(34)28(36-25)32-15-17-35-18-16-32/h1-3,5-8,20,22,28H,4,9-19H2,(H,29,33)(H,30,34)/t28-/m0/s1

InChI Key

ORHQEQPZEFKXHY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD15102057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-3.90

Polar Surface Area

63.280

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K786-8889 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K786-8889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8889?
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What is the minimum amount of K786-8889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8889
  • 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 K786-8889 available by request