K786-7181 Screening compound: N-[(2-chlorophenyl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide

K786-7181 Screening compound: N-[(2-chlorophenyl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide
K786-7181 Screening compound: N-[(2-chlorophenyl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7181
N-[(2-chlorophenyl)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

K786-7181

Molecular Formula

C20H28ClN3O5S (C20 H28 ClN3 O5 S)

Compound Name

N-[(2-chlorophenyl)methyl]-1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}piperidine-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)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(cccc1)c1Cl

InChI

InChI=1S/C20H28ClN3O5S/c21-18-4-2-1-3-17(18)15-22-19(25)16-5-9-23(10-6-16)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,16H,5-15H2,(H,22,25)

InChI Key

WPKOOZCZPDTAHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.68

Polar Surface Area

73.205

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

K786-7181 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 K786-7181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7181?
Check Price and Availability of K786-7181, 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 K786-7181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7181
  • 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 K786-7181 available by request