G585-0593 Screening compound: 1-ETHYL-5-{[4-(PYRROLIDINE-1-CARBONYL)PIPERIDIN-1-YL]SULFONYL}-1H-INDOLE

G585-0593 Screening compound: 1-ETHYL-5-{[4-(PYRROLIDINE-1-CARBONYL)PIPERIDIN-1-YL]SULFONYL}-1H-INDOLE
G585-0593 Screening compound: 1-ETHYL-5-{[4-(PYRROLIDINE-1-CARBONYL)PIPERIDIN-1-YL]SULFONYL}-1H-INDOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound G585-0593
1-ETHYL-5-{[4-(PYRROLIDINE-1-CARBONYL)PIPERIDIN-1-YL]SULFONYL}-1H-INDOLE

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

G585-0593

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

1-ETHYL-5-{[4-(PYRROLIDINE-1-CARBONYL)PIPERIDIN-1-YL]SULFONYL}-1H-INDOLE

IUPAC name

n/a

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CC1)CCC1C(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C20H27N3O3S/c1-2-21-12-7-17-15-18(5-6-19(17)21)27(25,26)23-13-8-16(9-14-23)20(24)22-10-3-4-11-22/h5-7,12,15-16H,2-4,8-11,13-14H2,1H3

InChI Key

RGQNSRUOPHIPQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-2.87

Polar Surface Area

50.799

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

G585-0593 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G585-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G585-0593?
Check Price and Availability of G585-0593, 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 G585-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G585-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G585-0593
  • 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 G585-0593 available by request