G498-0435 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide

G498-0435 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide
G498-0435 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0435
N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide

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

G498-0435

Molecular Formula

C22H27ClN2O6S (C22 H27 ClN2 O6 S)

Compound Name

N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide

IUPAC name

N-[4-chloro-3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(cc2)cc(N(CCC3)S3(=O)=O)c2Cl)=O)cc(OCC)c1OCC

InChI

InChI=1S/C22H27ClN2O6S/c1-4-29-19-12-15(13-20(30-5-2)21(19)31-6-3)22(26)24-16-8-9-17(23)18(14-16)25-10-7-11-32(25,27)28/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,24,26)

InChI Key

CDKQCQPPEOTFKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.84

Polar Surface Area

76.782

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with G498-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0435?
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What is the minimum amount of G498-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0435
  • 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 G498-0435 available by request