G596-0144 Screening compound: N~1~-(3-methoxybenzyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

G596-0144 Screening compound: N~1~-(3-methoxybenzyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
G596-0144 Screening compound: N~1~-(3-methoxybenzyl)-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 G596-0144
N~1~-(3-methoxybenzyl)-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

G596-0144

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

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

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-{9-oxo-7-thia-210-diazatricyclo[9.4.0.0^{26}]pentadeca-1(15)351113-pentaen-10-yl}acetamide

SMILES

COc1cccc(CNC(CN(c(cccc2)c2-n2c(SC3)ccc2)C3=O)=O)c1

InChI

InChI=1S/C22H21N3O3S/c1-28-17-7-4-6-16(12-17)13-23-20(26)14-25-19-9-3-2-8-18(19)24-11-5-10-22(24)29-15-21(25)27/h2-12H,13-15H2,1H3,(H,23,26)

InChI Key

GPPIGZJVJAYKBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.71

Polar Surface Area

48.322

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G596-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G596-0144?
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What is the minimum amount of G596-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G596-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G596-0144
  • 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 G596-0144 available by request