G498-0234 Screening compound: 4-butoxy-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide

G498-0234 Screening compound: 4-butoxy-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide
G498-0234 Screening compound: 4-butoxy-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0234
4-butoxy-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]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

G498-0234

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

4-butoxy-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(Nc1cccc(N(CCC2)S2(=O)=O)c1)=O

InChI

InChI=1S/C20H24N2O4S/c1-2-3-13-26-19-10-8-16(9-11-19)20(23)21-17-6-4-7-18(15-17)22-12-5-14-27(22,24)25/h4,6-11,15H,2-3,5,12-14H2,1H3,(H,21,23)

InChI Key

HTWWOBNYIMRJQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.631

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.70

Polar Surface Area

62.783

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G498-0234 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G498-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0234?
Check Price and Availability of G498-0234, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G498-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0234
  • 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 G498-0234 available by request