G585-0586 Screening compound: ethyl 1-{1-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate

G585-0586 Screening compound: ethyl 1-{1-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate
G585-0586 Screening compound: ethyl 1-{1-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G585-0586
ethyl 1-{1-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperidine-4-carbonyl}piperidine-4-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

G585-0586

Molecular Formula

C24H33N3O5S (C24 H33 N3 O5 S)

Compound Name

ethyl 1-{1-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{1-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CC1)CCC1C(N(CC1)CCC1C(OCC)=O)=O)(=O)=O

InChI

InChI=1S/C24H33N3O5S/c1-3-25-12-9-20-17-21(5-6-22(20)25)33(30,31)27-15-10-18(11-16-27)23(28)26-13-7-19(8-14-26)24(29)32-4-2/h5-6,9,12,17-19H,3-4,7-8,10-11,13-16H2,1-2H3

InChI Key

WRVKKETUMAQYQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-3.11

Polar Surface Area

71.187

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

G585-0586 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 G585-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G585-0586?
Check Price and Availability of G585-0586, 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 G585-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G585-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G585-0586
  • 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 G585-0586 available by request