G498-0412 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-difluorobenzamide

G498-0412 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-difluorobenzamide
G498-0412 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0412
N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-difluorobenzamide

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

G498-0412

Molecular Formula

C16H13ClF2N2O3S (C16 H13 ClF2 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(F)c1F)Nc(cc1)cc(N(CCC2)S2(=O)=O)c1Cl

InChI

InChI=1S/C16H13ClF2N2O3S/c17-12-4-3-11(9-15(12)21-6-1-7-25(21,23)24)20-16(22)10-2-5-13(18)14(19)8-10/h2-5,8-9H,1,6-7H2,(H,20,22)

InChI Key

DAMXGVQJVHPRIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-3.68

Polar Surface Area

55.064

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with G498-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0412?
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What is the minimum amount of G498-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0412
  • 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 G498-0412 available by request