E677-0501 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

E677-0501 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
E677-0501 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0501
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

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

E677-0501

Molecular Formula

C20H22FN3O2S (C20 H22 FN3 O2 S)

Compound Name

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

IUPAC name

N-[3-(dimethylamino)propyl]-N-(6-fluoro-13-benzothiazol-2-yl)-2-phenoxyacetamide

SMILES

CN(C)CCCN(C(COc1ccccc1)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C20H22FN3O2S/c1-23(2)11-6-12-24(19(25)14-26-16-7-4-3-5-8-16)20-22-17-10-9-15(21)13-18(17)27-20/h3-5,7-10,13H,6,11-12,14H2,1-2H3

InChI Key

WPBGYANLGMLYPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985586

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-3.83

Polar Surface Area

36.212

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E677-0501 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E677-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0501?
Check Price and Availability of E677-0501, 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 E677-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0501
  • 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 E677-0501 available by request