F475-0511 Screening compound: 3-(2,5-dimethylphenyl)-2-(4-methoxybenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

F475-0511 Screening compound: 3-(2,5-dimethylphenyl)-2-(4-methoxybenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
F475-0511 Screening compound: 3-(2,5-dimethylphenyl)-2-(4-methoxybenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0511
3-(2,5-dimethylphenyl)-2-(4-methoxybenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

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

F475-0511

Molecular Formula

C23H24N2O3S (C23 H24 N2 O3 S)

Compound Name

3-(2,5-dimethylphenyl)-2-(4-methoxybenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-(25-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

Cc1cc(C(Nc2c3cccc2)N(Cc(cc2)ccc2OC)S3(=O)=O)c(C)cc1

InChI

InChI=1S/C23H24N2O3S/c1-16-8-9-17(2)20(14-16)23-24-21-6-4-5-7-22(21)29(26,27)25(23)15-18-10-12-19(28-3)13-11-18/h4-14,23-24H,15H2,1-3H3/t23-/m0/s1

InChI Key

COCWEDBECNAQSQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14955893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

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

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-4.58

Polar Surface Area

50.579

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

F475-0511 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F475-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0511?
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What is the minimum amount of F475-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0511
  • 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 F475-0511 available by request