E013-0459 Screening compound: 5-(3,4-dimethylphenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione

E013-0459 Screening compound: 5-(3,4-dimethylphenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione
E013-0459 Screening compound: 5-(3,4-dimethylphenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-0459
5-(3,4-dimethylphenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-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

E013-0459

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

5-(3,4-dimethylphenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(34-dimethylphenyl)-4-methyl-3-[(1234-tetrahydronaphthalen-1-yl)amino]-1lambda62-thiazole-11-dione

SMILES

CC(C(NC(CCC1)c2c1cccc2)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C22H24N2O2S/c1-14-11-12-18(13-15(14)2)21-16(3)22(24-27(21,25)26)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10H2,1-3H3,(H,23,24)/t20-/m0/s1

InChI Key

IJFPNIHFUSKJIQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14837342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.62

Polar Surface Area

52.010

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with E013-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-0459?
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What is the minimum amount of E013-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-0459
  • 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 E013-0459 available by request