K786-5190 Screening compound: ethyl 4-[(3-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate

K786-5190 Screening compound: ethyl 4-[(3-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate
K786-5190 Screening compound: ethyl 4-[(3-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5190
ethyl 4-[(3-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-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

K786-5190

Molecular Formula

C25H40N4O7S (C25 H40 N4 O7 S)

Compound Name

ethyl 4-[(3-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(3-{[2-(34-diethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(N(CCC1)CC1C(NCCc(cc1)cc(OCC)c1OCC)=O)(=O)=O)=O

InChI

InChI=1S/C25H40N4O7S/c1-4-34-22-10-9-20(18-23(22)35-5-2)11-12-26-24(30)21-8-7-13-29(19-21)37(32,33)28-16-14-27(15-17-28)25(31)36-6-3/h9-10,18,21H,4-8,11-17,19H2,1-3H3,(H,26,30)/t21-/m0/s1

InChI Key

OMAUYNPHUAKCPU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15101224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.177

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-2.44

Polar Surface Area

95.744

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

K786-5190 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)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 K786-5190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5190?
Check Price and Availability of K786-5190, 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 K786-5190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5190
  • 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 K786-5190 available by request