G115-0027 Screening compound: 6-({4-methoxy-3-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

G115-0027 Screening compound: 6-({4-methoxy-3-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
G115-0027 Screening compound: 6-({4-methoxy-3-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0027
6-({4-methoxy-3-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-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

G115-0027

Molecular Formula

C24H21N3O6S (C24 H21 N3 O6 S)

Compound Name

6-({4-methoxy-3-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-({4-methoxy-3-[(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

Cc(cc1)cc2c1OCCN2S(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C24H21N3O6S/c1-15-5-7-19-18(12-15)27(10-11-33-19)34(30,31)21-13-16(6-8-20(21)32-2)14-26-23(28)17-4-3-9-25-22(17)24(26)29/h3-9,12-13H,10-11,14H2,1-2H3

InChI Key

PTBSMYDOAZNRLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-2.91

Polar Surface Area

86.134

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G115-0027 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with G115-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0027?
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What is the minimum amount of G115-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0027
  • 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 G115-0027 available by request