F475-0192 Screening compound: 2,5-dimethylbenzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

F475-0192 Screening compound: 2,5-dimethylbenzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
F475-0192 Screening compound: 2,5-dimethylbenzyl 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 F475-0192
2,5-dimethylbenzyl 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

F475-0192

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

2,5-dimethylbenzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

IUPAC name

(25-dimethylphenyl)methyl 4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzoate

SMILES

Cc1cc(COC(c2ccc(C(Nc3c4cccc3)NS4(=O)=O)cc2)=O)c(C)cc1

InChI

InChI=1S/C23H22N2O4S/c1-15-7-8-16(2)19(13-15)14-29-23(26)18-11-9-17(10-12-18)22-24-20-5-3-4-6-21(20)30(27,28)25-22/h3-13,22,24-25H,14H2,1-2H3/t22-/m0/s1

InChI Key

NAXKGTSFKHOKJE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14955859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.39

Polar Surface Area

72.958

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with F475-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0192?
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What is the minimum amount of F475-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0192
  • 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 F475-0192 available by request