D034-0072 Screening compound: 2-benzyl-3-(4-ethylphenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

D034-0072 Screening compound: 2-benzyl-3-(4-ethylphenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
D034-0072 Screening compound: 2-benzyl-3-(4-ethylphenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0072
2-benzyl-3-(4-ethylphenyl)-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

D034-0072

Molecular Formula

C22H22N2O2S (C22 H22 N2 O2 S)

Compound Name

2-benzyl-3-(4-ethylphenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

2-benzyl-3-(4-ethylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

CCc1ccc(C(Nc2c3cccc2)N(Cc2ccccc2)S3(=O)=O)cc1

InChI

InChI=1S/C22H22N2O2S/c1-2-17-12-14-19(15-13-17)22-23-20-10-6-7-11-21(20)27(25,26)24(22)16-18-8-4-3-5-9-18/h3-15,22-23H,2,16H2,1H3/t22-/m0/s1

InChI Key

ZSUUYAKZLIUUMM-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

5.045

Water Solubility, LogSw

-4.61

Polar Surface Area

43.035

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D034-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0072?
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What is the minimum amount of D034-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0072
  • 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 D034-0072 available by request