E676-1764 Screening compound: N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N~1~-[2-(dimethylamino)ethyl]-2-phenylacetamide

E676-1764 Screening compound: N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N~1~-[2-(dimethylamino)ethyl]-2-phenylacetamide
E676-1764 Screening compound: N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N~1~-[2-(dimethylamino)ethyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-1764
N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N~1~-[2-(dimethylamino)ethyl]-2-phenylacetamide

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

E676-1764

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N~1~-[2-(dimethylamino)ethyl]-2-phenylacetamide

IUPAC name

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

SMILES

CN(C)CCN(C(Cc1ccccc1)=O)c1nc(cc2OCCOc2c2)c2s1

InChI

InChI=1S/C21H23N3O3S/c1-23(2)8-9-24(20(25)12-15-6-4-3-5-7-15)21-22-16-13-17-18(14-19(16)28-21)27-11-10-26-17/h3-7,13-14H,8-12H2,1-2H3

InChI Key

REIXCLNWCNNHCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985002

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-3.22

Polar Surface Area

44.536

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E676-1764 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Immunological Library (6760 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

STING Agonist Library (5895 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
  • Others
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E676-1764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-1764?
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What is the minimum amount of E676-1764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-1764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-1764
  • 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 E676-1764 available by request