G596-0268 Screening compound: N~1~-(4-ethoxybenzyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

G596-0268 Screening compound: N~1~-(4-ethoxybenzyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
G596-0268 Screening compound: N~1~-(4-ethoxybenzyl)-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 G596-0268
N~1~-(4-ethoxybenzyl)-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

G596-0268

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

N~1~-(4-ethoxybenzyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-2-{9-oxo-7-thia-210-diazatricyclo[9.4.0.0^{26}]pentadeca-1(15)351113-pentaen-10-yl}acetamide

SMILES

CCOc1ccc(CNC(CN(c(cccc2)c2-n2c(SC3)ccc2)C3=O)=O)cc1

InChI

InChI=1S/C23H23N3O3S/c1-2-29-18-11-9-17(10-12-18)14-24-21(27)15-26-20-7-4-3-6-19(20)25-13-5-8-23(25)30-16-22(26)28/h3-13H,2,14-16H2,1H3,(H,24,27)

InChI Key

ZVOAVYSZWXJKIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-3.64

Polar Surface Area

47.902

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with G596-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G596-0268?
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What is the minimum amount of G596-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G596-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G596-0268
  • 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 G596-0268 available by request