G025-0060 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxybenzyl)benzamide

G025-0060 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxybenzyl)benzamide
G025-0060 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0060
4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxybenzyl)benzamide

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

G025-0060

Molecular Formula

C18H20N2O4S (C18 H20 N2 O4 S)

Compound Name

4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxybenzyl)benzamide

IUPAC name

4-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide

SMILES

COc1cccc(CNC(c(cc2)ccc2N(CCC2)S2(=O)=O)=O)c1

InChI

InChI=1S/C18H20N2O4S/c1-24-17-5-2-4-14(12-17)13-19-18(21)15-6-8-16(9-7-15)20-10-3-11-25(20,22)23/h2,4-9,12H,3,10-11,13H2,1H3,(H,19,21)

InChI Key

FMXXSPNHLVSURW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10824835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.46

Polar Surface Area

64.231

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with G025-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0060?
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What is the minimum amount of G025-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0060
  • 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 G025-0060 available by request