G115-0046 Screening compound: 6-({4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

G115-0046 Screening compound: 6-({4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
G115-0046 Screening compound: 6-({4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0046
6-({4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

G115-0046

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

6-({4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-({4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

COc(ccc(CN(C(c1c2nccc1)=O)C2=O)c1)c1S(N(CC1)CC1c1ccccc1)(=O)=O

InChI

InChI=1S/C25H23N3O5S/c1-33-21-10-9-17(15-28-24(29)20-8-5-12-26-23(20)25(28)30)14-22(21)34(31,32)27-13-11-19(16-27)18-6-3-2-4-7-18/h2-10,12,14,19H,11,13,15-16H2,1H3/t19-/m1/s1

InChI Key

PQVLWZHBOXGOSA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14980745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-3.27

Polar Surface Area

78.770

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

G115-0046 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G115-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0046?
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What is the minimum amount of G115-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0046
  • 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 G115-0046 available by request