G585-0462 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

G585-0462 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
G585-0462 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G585-0462
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

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

G585-0462

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

SMILES

Cn(cc1)c(cc2)c1cc2S(N(CC1)CCC1C(NCCC1=CCCCC1)=O)(=O)=O

InChI

InChI=1S/C23H31N3O3S/c1-25-14-10-20-17-21(7-8-22(20)25)30(28,29)26-15-11-19(12-16-26)23(27)24-13-9-18-5-3-2-4-6-18/h5,7-8,10,14,17,19H,2-4,6,9,11-13,15-16H2,1H3,(H,24,27)

InChI Key

RQGLIMZSMYEQHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.42

Polar Surface Area

59.063

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

G585-0462 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G585-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G585-0462?
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What is the minimum amount of G585-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G585-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G585-0462
  • 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 G585-0462 available by request