E676-5564 Screening compound: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

E676-5564 Screening compound: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
E676-5564 Screening compound: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-5564
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

E676-5564

Molecular Formula

C22H23F2N3O3S (C22 H23 F2 N3 O3 S)

Compound Name

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-[2-(diethylamino)ethyl]-N-(46-difluoro-13-benzothiazol-2-yl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

CCN(CC)CCN(C(C1Oc(cccc2)c2OC1)=O)c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C22H23F2N3O3S/c1-3-26(4-2)9-10-27(22-25-20-15(24)11-14(23)12-19(20)31-22)21(28)18-13-29-16-7-5-6-8-17(16)30-18/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3/t18-/m0/s1

InChI Key

TYTZYUBKEOUVLM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD11985470

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

447.51

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

4.798

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-4.51

Polar Surface Area

44.993

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E676-5564 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E676-5564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-5564?
Check Price and Availability of E676-5564, 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 E676-5564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-5564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-5564
  • 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 E676-5564 available by request