G498-0149 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxy-1-benzenesulfonamide

G498-0149 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxy-1-benzenesulfonamide
G498-0149 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0149
N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxy-1-benzenesulfonamide

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

G498-0149

Molecular Formula

C17H19ClN2O6S2 (C17 H19 ClN2 O6 S2)

Compound Name

N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxy-1-benzenesulfonamide

IUPAC name

N-[4-chloro-3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-34-dimethoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(Nc(cc1)cc(N(CCC2)S2(=O)=O)c1Cl)(=O)=O)c1)c1OC

InChI

InChI=1S/C17H19ClN2O6S2/c1-25-16-7-5-13(11-17(16)26-2)28(23,24)19-12-4-6-14(18)15(10-12)20-8-3-9-27(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3

InChI Key

GKOQIQLLHTUFJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.93

Polar Surface Area

87.883

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G498-0149 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G498-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0149?
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What is the minimum amount of G498-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0149
  • 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 G498-0149 available by request