E013-1783 Screening compound: 3-{[1-(23-DIHYDRO-14-BENZODIOXIN-6-YL)ETHYL]AMINO}-5-(4-METHOXYPHENYL)-4-METHYL-1LAMBDA62-THIAZOLE-11-DIONE

E013-1783 Screening compound: 3-{[1-(23-DIHYDRO-14-BENZODIOXIN-6-YL)ETHYL]AMINO}-5-(4-METHOXYPHENYL)-4-METHYL-1LAMBDA62-THIAZOLE-11-DIONE
E013-1783 Screening compound: 3-{[1-(23-DIHYDRO-14-BENZODIOXIN-6-YL)ETHYL]AMINO}-5-(4-METHOXYPHENYL)-4-METHYL-1LAMBDA62-THIAZOLE-11-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1783
3-{[1-(23-DIHYDRO-14-BENZODIOXIN-6-YL)ETHYL]AMINO}-5-(4-METHOXYPHENYL)-4-METHYL-1LAMBDA62-THIAZOLE-11-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

E013-1783

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

3-{[1-(23-DIHYDRO-14-BENZODIOXIN-6-YL)ETHYL]AMINO}-5-(4-METHOXYPHENYL)-4-METHYL-1LAMBDA62-THIAZOLE-11-DIONE

IUPAC name

3-{[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]amino}-5-(4-methoxyphenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(c(cc1)cc2c1OCCO2)NC(C(C)=C1c(cc2)ccc2OC)=NS1(=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-13-20(15-4-7-17(26-3)8-5-15)29(24,25)23-21(13)22-14(2)16-6-9-18-19(12-16)28-11-10-27-18/h4-9,12,14H,10-11H2,1-3H3,(H,22,23)/t14-/m0/s1

InChI Key

UBCSUEDTGOXDRW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14837558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.17

Polar Surface Area

74.697

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E013-1783 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E013-1783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1783?
Check Price and Availability of E013-1783, 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 E013-1783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1783
  • 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 E013-1783 available by request