G001-0820 Screening compound: 3-({3-[benzyl(ethyl)amino]propyl}amino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

G001-0820 Screening compound: 3-({3-[benzyl(ethyl)amino]propyl}amino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
G001-0820 Screening compound: 3-({3-[benzyl(ethyl)amino]propyl}amino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0820
3-({3-[benzyl(ethyl)amino]propyl}amino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

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

G001-0820

Molecular Formula

C22H26FN3O2S (C22 H26 FN3 O2 S)

Compound Name

3-({3-[benzyl(ethyl)amino]propyl}amino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-({3-[benzyl(ethyl)amino]propyl}amino)-5-(4-fluorophenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CCN(CCCNC(C(C)=C1c(cc2)ccc2F)=NS1(=O)=O)Cc1ccccc1

InChI

InChI=1S/C22H26FN3O2S/c1-3-26(16-18-8-5-4-6-9-18)15-7-14-24-22-17(2)21(29(27,28)25-22)19-10-12-20(23)13-11-19/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,24,25)

InChI Key

JUUOSGNTFIVXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-3.61

Polar Surface Area

55.694

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with G001-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0820?
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What is the minimum amount of G001-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0820
  • 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 G001-0820 available by request