G115-0008 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(4-nitrophenyl)benzene-1-sulfonamide

G115-0008 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(4-nitrophenyl)benzene-1-sulfonamide
G115-0008 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(4-nitrophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0008
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(4-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

G115-0008

Molecular Formula

C21H16N4O7S (C21 H16 N4 O7 S)

Compound Name

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

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-2-methoxy-N-(4-nitrophenyl)benzene-1-sulfonamide

SMILES

COc(ccc(CN(C(c1c2nccc1)=O)C2=O)c1)c1S(Nc(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C21H16N4O7S/c1-32-17-9-4-13(12-24-20(26)16-3-2-10-22-19(16)21(24)27)11-18(17)33(30,31)23-14-5-7-15(8-6-14)25(28)29/h2-11,23H,12H2,1H3

InChI Key

AOJQZMDFECEOER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.796

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-2.82

Polar Surface Area

121.062

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G115-0008 in Drug Discovery

Included in Screening Libraries

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 G115-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0008?
Check Price and Availability of G115-0008, 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 G115-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0008
  • 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 G115-0008 available by request