K786-0911 Screening compound: 1-(1-azepanylsulfonyl)-N-[2-(1-cyclohexenyl)ethyl]-3-piperidinecarboxamide

K786-0911 Screening compound: 1-(1-azepanylsulfonyl)-N-[2-(1-cyclohexenyl)ethyl]-3-piperidinecarboxamide
K786-0911 Screening compound: 1-(1-azepanylsulfonyl)-N-[2-(1-cyclohexenyl)ethyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0911
1-(1-azepanylsulfonyl)-N-[2-(1-cyclohexenyl)ethyl]-3-piperidinecarboxamide

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

K786-0911

Molecular Formula

C20H35N3O3S (C20 H35 N3 O3 S)

Compound Name

1-(1-azepanylsulfonyl)-N-[2-(1-cyclohexenyl)ethyl]-3-piperidinecarboxamide

IUPAC name

1-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(N1CCCCCC1)(=O)=O)NCCC1=CCCCC1

InChI

InChI=1S/C20H35N3O3S/c24-20(21-13-12-18-9-4-3-5-10-18)19-11-8-16-23(17-19)27(25,26)22-14-6-1-2-7-15-22/h9,19H,1-8,10-17H2,(H,21,24)/t19-/m0/s1

InChI Key

ZUNSXBMTANQKBM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05026086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.49

Polar Surface Area

59.067

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.00

K786-0911 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0911?
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What is the minimum amount of K786-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0911
  • 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 K786-0911 available by request