K786-5361 Screening compound: ethyl 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}piperazine-1-carboxylate

K786-5361 Screening compound: ethyl 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}piperazine-1-carboxylate
K786-5361 Screening compound: ethyl 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5361
ethyl 4-{[3-(4-benzylpiperidine-1-carbonyl)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

K786-5361

Molecular Formula

C25H38N4O5S (C25 H38 N4 O5 S)

Compound Name

ethyl 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(N(CCC1)CC1C(N1CCC(Cc2ccccc2)CC1)=O)(=O)=O)=O

InChI

InChI=1S/C25H38N4O5S/c1-2-34-25(31)27-15-17-28(18-16-27)35(32,33)29-12-6-9-23(20-29)24(30)26-13-10-22(11-14-26)19-21-7-4-3-5-8-21/h3-5,7-8,22-23H,2,6,9-20H2,1H3/t23-/m0/s1

InChI Key

GKACQERPFNLTBQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15101240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.16

Polar Surface Area

73.446

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

K786-5361 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 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 K786-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5361?
Check Price and Availability of K786-5361, 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 K786-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5361
  • 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 K786-5361 available by request