E883-0458 Screening compound: 3-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E883-0458 Screening compound: 3-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E883-0458 Screening compound: 3-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0458
3-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-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

E883-0458

Molecular Formula

C23H25F3N4O3S (C23 H25 F3 N4 O3 S)

Compound Name

3-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-{3-[4-(24-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-2H-1lambda624-benzothiadiazine-11-dione

SMILES

Cc(cc1)cc(C)c1N(CC1)CCN1C(CCC(N1)=Nc(cc(C(F)(F)F)cc2)c2S1(=O)=O)=O

InChI

InChI=1S/C23H25F3N4O3S/c1-15-3-5-19(16(2)13-15)29-9-11-30(12-10-29)22(31)8-7-21-27-18-14-17(23(24,25)26)4-6-20(18)34(32,33)28-21/h3-6,13-14H,7-12H2,1-2H3,(H,27,28)

InChI Key

NGGFODPTKZJHSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-4.02

Polar Surface Area

69.976

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with E883-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0458?
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What is the minimum amount of E883-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0458
  • 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 E883-0458 available by request