G025-0249 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(ethylanilino)propyl]benzamide

G025-0249 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(ethylanilino)propyl]benzamide
G025-0249 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(ethylanilino)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0249
3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(ethylanilino)propyl]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

G025-0249

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(ethylanilino)propyl]benzamide

IUPAC name

3-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-{3-[ethyl(phenyl)amino]propyl}benzamide

SMILES

CCN(CCCNC(c1cccc(N(CCC2)S2(=O)=O)c1)=O)c1ccccc1

InChI

InChI=1S/C21H27N3O3S/c1-2-23(19-10-4-3-5-11-19)14-7-13-22-21(25)18-9-6-12-20(17-18)24-15-8-16-28(24,26)27/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,22,25)

InChI Key

SUWUAELJGXPWOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.96

Polar Surface Area

59.519

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with G025-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0249?
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What is the minimum amount of G025-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0249
  • 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 G025-0249 available by request