K786-6389 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}amino)acetamide

K786-6389 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}amino)acetamide
K786-6389 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6389
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}amino)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

K786-6389

Molecular Formula

C28H42N4OS (C28 H42 N4 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}amino)acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-methylphenyl)methyl]-14-diazaspiro[5.5]undecane-4-carbothioyl}amino)acetamide

SMILES

Cc1ccc(CN(CC2)C3(CCCCC3)CN2C(NCC(NCCC2=CCCCC2)=O)=S)cc1

InChI

InChI=1S/C28H42N4OS/c1-23-10-12-25(13-11-23)21-32-19-18-31(22-28(32)15-6-3-7-16-28)27(34)30-20-26(33)29-17-14-24-8-4-2-5-9-24/h8,10-13H,2-7,9,14-22H2,1H3,(H,29,33)(H,30,34)

InChI Key

OZOBBRUCLYIPRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-4.73

Polar Surface Area

40.005

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.30

K786-6389 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-6389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6389?
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What is the minimum amount of K786-6389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6389
  • 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 K786-6389 available by request