G596-0130 Screening compound: 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N~1~-phenethylacetamide

G596-0130 Screening compound: 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N~1~-phenethylacetamide
G596-0130 Screening compound: 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G596-0130
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N~1~-phenethylacetamide

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

G596-0130

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1-n1c(SC2)ccc1)C2=O)NCCc1ccccc1

InChI

InChI=1S/C22H21N3O2S/c26-20(23-13-12-17-7-2-1-3-8-17)15-25-19-10-5-4-9-18(19)24-14-6-11-22(24)28-16-21(25)27/h1-11,14H,12-13,15-16H2,(H,23,26)

InChI Key

MIPQKTWZADGQMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.38

Polar Surface Area

40.620

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G596-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G596-0130?
Check Price and Availability of G596-0130, 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 G596-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G596-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G596-0130
  • 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 G596-0130 available by request