E013-1646 Screening compound: 5-(4-METHOXYPHENYL)-4-METHYL-3-[(2-PHENYLPROPYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1

E013-1646 Screening compound: 5-(4-METHOXYPHENYL)-4-METHYL-3-[(2-PHENYLPROPYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1
E013-1646 Screening compound: 5-(4-METHOXYPHENYL)-4-METHYL-3-[(2-PHENYLPROPYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1646
5-(4-METHOXYPHENYL)-4-METHYL-3-[(2-PHENYLPROPYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1

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

E013-1646

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

5-(4-METHOXYPHENYL)-4-METHYL-3-[(2-PHENYLPROPYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1

IUPAC name

n/a

SMILES

CC(CNC(C(C)=C1c(cc2)ccc2OC)=NS1(=O)=O)c1ccccc1

InChI

InChI=1S/C20H22N2O3S/c1-14(16-7-5-4-6-8-16)13-21-20-15(2)19(26(23,24)22-20)17-9-11-18(25-3)12-10-17/h4-12,14H,13H2,1-3H3,(H,21,22)/t14-/m0/s1

InChI Key

PVJDMKLDYAPPDW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14837523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.20

Polar Surface Area

59.710

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E013-1646 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with E013-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1646?
Check Price and Availability of E013-1646, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E013-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1646
  • 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 E013-1646 available by request