G325-0491 Screening compound: 3-[(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

G325-0491 Screening compound: 3-[(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
G325-0491 Screening compound: 3-[(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G325-0491
3-[(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-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

G325-0491

Molecular Formula

C24H26N2O4S (C24 H26 N2 O4 S)

Compound Name

3-[(1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

IUPAC name

3-[(1-cyclopropanecarbonyl-23-dihydro-1H-indol-5-yl)sulfonyl]-1-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

O=C(CCS(c(cc1)cc(CC2)c1N2C(C1CC1)=O)(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H26N2O4S/c27-23(25-12-9-17-3-1-2-4-20(17)16-25)11-14-31(29,30)21-7-8-22-19(15-21)10-13-26(22)24(28)18-5-6-18/h1-4,7-8,15,18H,5-6,9-14,16H2

InChI Key

XLJLPJLDALWIRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-3.12

Polar Surface Area

61.259

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

G325-0491 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 G325-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G325-0491?
Check Price and Availability of G325-0491, 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 G325-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G325-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G325-0491
  • 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 G325-0491 available by request