K786-5259 Screening compound: ethyl 4-[(3-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate

K786-5259 Screening compound: ethyl 4-[(3-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate
K786-5259 Screening compound: ethyl 4-[(3-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5259
ethyl 4-[(3-{[(3-methoxyphenyl)methyl]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

K786-5259

Molecular Formula

C21H32N4O6S (C21 H32 N4 O6 S)

Compound Name

ethyl 4-[(3-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(3-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(N(CCC1)CC1C(NCc1cc(OC)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C21H32N4O6S/c1-3-31-21(27)23-10-12-24(13-11-23)32(28,29)25-9-5-7-18(16-25)20(26)22-15-17-6-4-8-19(14-17)30-2/h4,6,8,14,18H,3,5,7,9-13,15-16H2,1-2H3,(H,22,26)/t18-/m0/s1

InChI Key

NRWZSIHFPHSFIA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15101233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.092

Distribution Coefficient, logD

1.092

Water Solubility, LogSw

-2.39

Polar Surface Area

89.026

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

K786-5259 in Drug Discovery

Included in Screening Libraries

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 K786-5259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5259?
Check Price and Availability of K786-5259, 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 K786-5259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5259
  • 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 K786-5259 available by request