K786-6888 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide

K786-6888 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide
K786-6888 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6888
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-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

K786-6888

Molecular Formula

C21H29N3O7S (C21 H29 N3 O7 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(N(CC1)CCC11OCCO1)(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H29N3O7S/c25-20(22-14-16-1-2-18-19(13-16)29-15-28-18)17-3-7-23(8-4-17)32(26,27)24-9-5-21(6-10-24)30-11-12-31-21/h1-2,13,17H,3-12,14-15H2,(H,22,25)

InChI Key

SHNDDEAFOQBXGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.763

Distribution Coefficient, logD

0.763

Water Solubility, LogSw

-2.40

Polar Surface Area

90.321

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

K786-6888 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K786-6888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6888?
Check Price and Availability of K786-6888, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K786-6888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6888
  • 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 K786-6888 available by request