G596-0174 Screening compound: N~1~-(3-methoxypropyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide

G596-0174 Screening compound: N~1~-(3-methoxypropyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
G596-0174 Screening compound: N~1~-(3-methoxypropyl)-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 G596-0174
N~1~-(3-methoxypropyl)-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

G596-0174

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-24-11-5-9-19-16(22)12-21-15-7-3-2-6-14(15)20-10-4-8-18(20)25-13-17(21)23/h2-4,6-8,10H,5,9,11-13H2,1H3,(H,19,22)

InChI Key

BHHZRFDDUGXIRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

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

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.37

Polar Surface Area

49.234

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G596-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G596-0174?
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What is the minimum amount of G596-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G596-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G596-0174
  • 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 G596-0174 available by request