E013-1754 Screening compound: 3-({3-[benzyl(isopropyl)amino]propyl}amino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1754 Screening compound: 3-({3-[benzyl(isopropyl)amino]propyl}amino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1754 Screening compound: 3-({3-[benzyl(isopropyl)amino]propyl}amino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1754
3-({3-[benzyl(isopropyl)amino]propyl}amino)-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

E013-1754

Molecular Formula

C24H31N3O3S (C24 H31 N3 O3 S)

Compound Name

3-({3-[benzyl(isopropyl)amino]propyl}amino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-({3-[benzyl(propan-2-yl)amino]propyl}amino)-5-(4-methoxyphenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C)N(CCCNC(C(C)=C1c(cc2)ccc2OC)=NS1(=O)=O)Cc1ccccc1

InChI

InChI=1S/C24H31N3O3S/c1-18(2)27(17-20-9-6-5-7-10-20)16-8-15-25-24-19(3)23(31(28,29)26-24)21-11-13-22(30-4)14-12-21/h5-7,9-14,18H,8,15-17H2,1-4H3,(H,25,26)

InChI Key

ZNTBIDMKLSKEFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-4.00

Polar Surface Area

63.149

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with E013-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1754?
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What is the minimum amount of E013-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1754
  • 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 E013-1754 available by request