G743-0104 Screening compound: N~1~-(3,5-dimethylphenyl)-4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]benzamide

G743-0104 Screening compound: N~1~-(3,5-dimethylphenyl)-4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]benzamide
G743-0104 Screening compound: N~1~-(3,5-dimethylphenyl)-4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0104
N~1~-(3,5-dimethylphenyl)-4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]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

G743-0104

Molecular Formula

C23H20F3N3O3S (C23 H20 F3 N3 O3 S)

Compound Name

N~1~-(3,5-dimethylphenyl)-4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]benzamide

IUPAC name

N-(35-dimethylphenyl)-4-[11-dioxo-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl]benzamide

SMILES

Cc1cc(NC(c2ccc(C(Nc3c4ccc(C(F)(F)F)c3)NS4(=O)=O)cc2)=O)cc(C)c1

InChI

InChI=1S/C23H20F3N3O3S/c1-13-9-14(2)11-18(10-13)27-22(30)16-5-3-15(4-6-16)21-28-19-12-17(23(24,25)26)7-8-20(19)33(31,32)29-21/h3-12,21,28-29H,1-2H3,(H,27,30)/t21-/m0/s1

InChI Key

JBFXTBQVVXGANN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15031141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.34

Polar Surface Area

75.192

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with G743-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G743-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0104
  • 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 G743-0104 available by request