F475-0246 Screening compound: 2-(4-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

F475-0246 Screening compound: 2-(4-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
F475-0246 Screening compound: 2-(4-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0246
2-(4-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

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

F475-0246

Molecular Formula

C23H21N3O6S (C23 H21 N3 O6 S)

Compound Name

2-(4-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

IUPAC name

[(4-methoxyphenyl)carbamoyl]methyl 4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzoate

SMILES

COc(cc1)ccc1NC(COC(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)=O)=O

InChI

InChI=1S/C23H21N3O6S/c1-31-18-12-10-17(11-13-18)24-21(27)14-32-23(28)16-8-6-15(7-9-16)22-25-19-4-2-3-5-20(19)33(29,30)26-22/h2-13,22,25-26H,14H2,1H3,(H,24,27)/t22-/m0/s1

InChI Key

YXCRXVFTBGMTBP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD11997193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.53

Polar Surface Area

103.652

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with F475-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0246?
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What is the minimum amount of F475-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0246
  • 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 F475-0246 available by request