K786-4503 Screening compound: ethyl 4-({[(2-ethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate

K786-4503 Screening compound: ethyl 4-({[(2-ethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate
K786-4503 Screening compound: ethyl 4-({[(2-ethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4503
ethyl 4-({[(2-ethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate

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

K786-4503

Molecular Formula

C27H36N2O3S (C27 H36 N2 O3 S)

Compound Name

ethyl 4-({[(2-ethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({[(2-ethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate

SMILES

CCc(cccc1)c1NC(N(CC(CC1)CCC1C(OCC)=O)Cc(cc1)ccc1OC)=S

InChI

InChI=1S/C27H36N2O3S/c1-4-22-8-6-7-9-25(22)28-27(33)29(19-21-12-16-24(31-3)17-13-21)18-20-10-14-23(15-11-20)26(30)32-5-2/h6-9,12-13,16-17,20,23H,4-5,10-11,14-15,18-19H2,1-3H3,(H,28,33)

InChI Key

KAWPMWUDRDADDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.781

Distribution Coefficient, logD

6.781

Water Solubility, LogSw

-5.69

Polar Surface Area

38.220

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

K786-4503 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-4503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4503?
Check Price and Availability of K786-4503, 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 K786-4503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4503
  • 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 K786-4503 available by request