C200-8665 Screening compound: 4-(3,4-dimethylbenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

C200-8665 Screening compound: 4-(3,4-dimethylbenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
C200-8665 Screening compound: 4-(3,4-dimethylbenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8665
4-(3,4-dimethylbenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

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

C200-8665

Molecular Formula

C23H21FN2O3S (C23 H21 FN2 O3 S)

Compound Name

4-(3,4-dimethylbenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(34-dimethylphenyl)methyl]-2-(3-fluoro-4-methylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1c(C)cc(CN(c(cccc2)c2S(N2c3cc(F)c(C)cc3)(=O)=O)C2=O)cc1

InChI

InChI=1S/C23H21FN2O3S/c1-15-8-10-18(12-17(15)3)14-25-21-6-4-5-7-22(21)30(28,29)26(23(25)27)19-11-9-16(2)20(24)13-19/h4-13H,14H2,1-3H3

InChI Key

ORDPIUCGSOEDBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.872

Distribution Coefficient, logD

5.872

Water Solubility, LogSw

-5.44

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C200-8665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8665?
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What is the minimum amount of C200-8665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8665
  • 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 C200-8665 available by request