F475-0338 Screening compound: 2-[(4-methylbenzyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

F475-0338 Screening compound: 2-[(4-methylbenzyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
F475-0338 Screening compound: 2-[(4-methylbenzyl)amino]-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 F475-0338
2-[(4-methylbenzyl)amino]-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

F475-0338

Molecular Formula

C24H23N3O5S (C24 H23 N3 O5 S)

Compound Name

2-[(4-methylbenzyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

IUPAC name

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

SMILES

Cc1ccc(CNC(COC(c2ccc(C(Nc3c4cccc3)NS4(=O)=O)cc2)=O)=O)cc1

InChI

InChI=1S/C24H23N3O5S/c1-16-6-8-17(9-7-16)14-25-22(28)15-32-24(29)19-12-10-18(11-13-19)23-26-20-4-2-3-5-21(20)33(30,31)27-23/h2-13,23,26-27H,14-15H2,1H3,(H,25,28)/t23-/m0/s1

InChI Key

RXLIIWZSUPYSJC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD11997195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.33

Polar Surface Area

97.430

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with F475-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0338?
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What is the minimum amount of F475-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0338
  • 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 F475-0338 available by request