E676-4486 Screening compound: 5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-thiophenecarboxamide

E676-4486 Screening compound: 5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-thiophenecarboxamide
E676-4486 Screening compound: 5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-4486
5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-thiophenecarboxamide

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

E676-4486

Molecular Formula

C20H22ClN3O3S2 (C20 H22 ClN3 O3 S2)

Compound Name

5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-thiophenecarboxamide

IUPAC name

5-chloro-N-[2-(diethylamino)ethyl]-N-{1013-dioxa-4-thia-6-azatricyclo[7.4.0.0^{37}]trideca-13(7)58-tetraen-5-yl}thiophene-2-carboxamide

SMILES

CCN(CC)CCN(C(c(s1)ccc1Cl)=O)c1nc(cc2OCCOc2c2)c2s1

InChI

InChI=1S/C20H22ClN3O3S2/c1-3-23(4-2)7-8-24(19(25)16-5-6-18(21)28-16)20-22-13-11-14-15(12-17(13)29-20)27-10-9-26-14/h5-6,11-12H,3-4,7-10H2,1-2H3

InChI Key

RPSRBFVGSWHYFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985379

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

452

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-4.34

Polar Surface Area

45.627

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E676-4486 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E676-4486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-4486?
Check Price and Availability of E676-4486, 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 E676-4486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-4486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-4486
  • 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 E676-4486 available by request