E013-1813 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1813 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1813 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1813
3-[4-(2,5-dimethylphenyl)piperazino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-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

E013-1813

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

3-[4-(2,5-dimethylphenyl)piperazino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[4-(25-dimethylphenyl)piperazin-1-yl]-5-(4-methoxyphenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(N(CC1)CCN1c1c(C)ccc(C)c1)=N1)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C23H27N3O3S/c1-16-5-6-17(2)21(15-16)25-11-13-26(14-12-25)23-18(3)22(30(27,28)24-23)19-7-9-20(29-4)10-8-19/h5-10,15H,11-14H2,1-4H3

InChI Key

QCKFOXUICOYEAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.51

Polar Surface Area

53.633

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with E013-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1813?
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What is the minimum amount of E013-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1813
  • 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 E013-1813 available by request