G596-0178 Screening compound: N~1~-[(5-methyl-2-furyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

G596-0178 Screening compound: N~1~-[(5-methyl-2-furyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
G596-0178 Screening compound: N~1~-[(5-methyl-2-furyl)methyl]-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 G596-0178
N~1~-[(5-methyl-2-furyl)methyl]-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

G596-0178

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

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

IUPAC name

N-[(5-methylfuran-2-yl)methyl]-2-{9-oxo-7-thia-210-diazatricyclo[9.4.0.0^{26}]pentadeca-1(15)351113-pentaen-10-yl}acetamide

SMILES

Cc1ccc(CNC(CN(c(cccc2)c2-n2c(SC3)ccc2)C3=O)=O)o1

InChI

InChI=1S/C20H19N3O3S/c1-14-8-9-15(26-14)11-21-18(24)12-23-17-6-3-2-5-16(17)22-10-4-7-20(22)27-13-19(23)25/h2-10H,11-13H2,1H3,(H,21,24)

InChI Key

QDQAWXUIXHMDDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.47

Polar Surface Area

48.042

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G596-0178 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G596-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G596-0178?
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What is the minimum amount of G596-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G596-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G596-0178
  • 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 G596-0178 available by request