E883-0428 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E883-0428 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E883-0428 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazino]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0428
3-{3-[4-(3-chlorophenyl)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

E883-0428

Molecular Formula

C21H20ClF3N4O3S (C21 H20 ClF3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N1)=Nc(cc(C(F)(F)F)cc2)c2S1(=O)=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C21H20ClF3N4O3S/c22-15-2-1-3-16(13-15)28-8-10-29(11-9-28)20(30)7-6-19-26-17-12-14(21(23,24)25)4-5-18(17)33(31,32)27-19/h1-5,12-13H,6-11H2,(H,26,27)

InChI Key

HRECAPLSTWOTLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.93

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

2.905

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-3.71

Polar Surface Area

70.277

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E883-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0428?
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What is the minimum amount of E883-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0428
  • 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 E883-0428 available by request