G935-0488 Screening compound: 2-(4-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

G935-0488 Screening compound: 2-(4-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
G935-0488 Screening compound: 2-(4-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G935-0488
2-(4-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

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

G935-0488

Molecular Formula

C25H33N5O4S (C25 H33 N5 O4 S)

Compound Name

2-(4-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(4-{[4-(23-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-35-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cc(n(CC(N1CCCC1)=O)nc1C)c1S(N(CC1)CCC1C(N(CC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C25H33N5O4S/c1-18-24(19(2)30(26-18)17-23(31)27-12-5-6-13-27)35(33,34)28-14-9-21(10-15-28)25(32)29-16-11-20-7-3-4-8-22(20)29/h3-4,7-8,21H,5-6,9-17H2,1-2H3

InChI Key

XZHOQVLWHNIHMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15075931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-2.32

Polar Surface Area

78.668

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

G935-0488 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G935-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G935-0488?
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What is the minimum amount of G935-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G935-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G935-0488
  • 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 G935-0488 available by request