G596-0220 Screening compound: N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

G596-0220 Screening compound: N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
G596-0220 Screening compound: N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G596-0220
N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

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

G596-0220

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

IUPAC name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{9-oxo-7-thia-210-diazatricyclo[9.4.0.0^{26}]pentadeca-1(15)351113-pentaen-10-yl}acetamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(CN(c(cccc1)c1-n1c(SC2)ccc1)C2=O)=O

InChI

InChI=1S/C25H24N4O3S/c1-32-18-8-9-20-19(13-18)17(14-27-20)10-11-26-23(30)15-29-22-6-3-2-5-21(22)28-12-4-7-25(28)33-16-24(29)31/h2-9,12-14,27H,10-11,15-16H2,1H3,(H,26,30)

InChI Key

CNBKMRFLPJNLIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.73

Polar Surface Area

58.035

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G596-0220 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G596-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G596-0220?
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What is the minimum amount of G596-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G596-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G596-0220
  • 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 G596-0220 available by request