G498-0336 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-3-phenylpropanamide

G498-0336 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-3-phenylpropanamide
G498-0336 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0336
N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-3-phenylpropanamide

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

G498-0336

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-3-phenylpropanamide

IUPAC name

N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methoxyphenyl]-3-phenylpropanamide

SMILES

COc(ccc(N(CCC1)S1(=O)=O)c1)c1NC(CCc1ccccc1)=O

InChI

InChI=1S/C19H22N2O4S/c1-25-18-10-9-16(21-12-5-13-26(21,23)24)14-17(18)20-19(22)11-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,20,22)

InChI Key

HMUWFSYYSZYKBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-3.06

Polar Surface Area

62.084

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with G498-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0336?
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What is the minimum amount of G498-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0336
  • 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 G498-0336 available by request