E013-2917 Screening compound: 3-(2,5-dimethylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-2917 Screening compound: 3-(2,5-dimethylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-2917 Screening compound: 3-(2,5-dimethylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-2917
3-(2,5-dimethylanilino)-5-(4-isopropylphenyl)-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

E013-2917

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

3-(2,5-dimethylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[(25-dimethylphenyl)amino]-4-methyl-5-[4-(propan-2-yl)phenyl]-1lambda62-thiazole-11-dione

SMILES

CC(C)c(cc1)ccc1C1=C(C)C(Nc2c(C)ccc(C)c2)=NS1(=O)=O

InChI

InChI=1S/C21H24N2O2S/c1-13(2)17-8-10-18(11-9-17)20-16(5)21(23-26(20,24)25)22-19-12-14(3)6-7-15(19)4/h6-13H,1-5H3,(H,22,23)

InChI Key

IQOJYVUMHJXEBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

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

5.038

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.61

Polar Surface Area

50.147

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E013-2917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-2917?
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What is the minimum amount of E013-2917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-2917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-2917
  • 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 E013-2917 available by request