E583-0102 Screening compound: 3-{2-[4-(2,4-dimethylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E583-0102 Screening compound: 3-{2-[4-(2,4-dimethylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E583-0102 Screening compound: 3-{2-[4-(2,4-dimethylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E583-0102
3-{2-[4-(2,4-dimethylphenyl)piperazino]-2-oxoethyl}-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

E583-0102

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1N(CC1)CCN1C(CC(N1)=Nc(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C21H24N4O3S/c1-15-7-8-18(16(2)13-15)24-9-11-25(12-10-24)21(26)14-20-22-17-5-3-4-6-19(17)29(27,28)23-20/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)

InChI Key

UKUSJJPCYKZSLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-2.93

Polar Surface Area

69.976

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E583-0102 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E583-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E583-0102?
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What is the minimum amount of E583-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E583-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E583-0102
  • 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 E583-0102 available by request