K786-5176 Screening compound: ethyl 4-({3-[(isopropylamino)carbonyl]piperidino}sulfonyl)tetrahydro-1(2H)-pyrazinecarboxylate

K786-5176 Screening compound: ethyl 4-({3-[(isopropylamino)carbonyl]piperidino}sulfonyl)tetrahydro-1(2H)-pyrazinecarboxylate
K786-5176 Screening compound: ethyl 4-({3-[(isopropylamino)carbonyl]piperidino}sulfonyl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5176
ethyl 4-({3-[(isopropylamino)carbonyl]piperidino}sulfonyl)tetrahydro-1(2H)-pyrazinecarboxylate

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

K786-5176

Molecular Formula

C16H30N4O5S (C16 H30 N4 O5 S)

Compound Name

ethyl 4-({3-[(isopropylamino)carbonyl]piperidino}sulfonyl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1S(N(CCC1)CC1C(NC(C)C)=O)(=O)=O)=O

InChI

InChI=1S/C16H30N4O5S/c1-4-25-16(22)18-8-10-19(11-9-18)26(23,24)20-7-5-6-14(12-20)15(21)17-13(2)3/h13-14H,4-12H2,1-3H3,(H,17,21)/t14-/m0/s1

InChI Key

KSMMOVVPVFVEHP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05028025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.349

Distribution Coefficient, logD

0.349

Water Solubility, LogSw

-1.91

Polar Surface Area

80.728

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.50

K786-5176 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with K786-5176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5176?
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What is the minimum amount of K786-5176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5176
  • 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 K786-5176 available by request