G115-0016 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide

G115-0016 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide
G115-0016 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0016
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide

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

G115-0016

Molecular Formula

C22H18N4O8S (C22 H18 N4 O8 S)

Compound Name

5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NS(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C22H18N4O8S/c1-33-17-8-6-14(26(29)30)11-16(17)24-35(31,32)19-10-13(5-7-18(19)34-2)12-25-21(27)15-4-3-9-23-20(15)22(25)28/h3-11,24H,12H2,1-2H3

InChI Key

SSNDNVITUQHUJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.47

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

-1.059

Water Solubility, LogSw

-2.76

Polar Surface Area

127.994

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G115-0016 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G115-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0016?
Check Price and Availability of G115-0016, 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 G115-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0016
  • 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 G115-0016 available by request