E677-0404 Screening compound: 4-benzoyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

E677-0404 Screening compound: 4-benzoyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
E677-0404 Screening compound: 4-benzoyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0404
4-benzoyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

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

E677-0404

Molecular Formula

C26H24FN3O2S (C26 H24 FN3 O2 S)

Compound Name

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

IUPAC name

4-benzoyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-13-benzothiazol-2-yl)benzamide

SMILES

CN(C)CCCN(C(c(cc1)ccc1C(c1ccccc1)=O)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C26H24FN3O2S/c1-29(2)15-6-16-30(26-28-22-14-13-21(27)17-23(22)33-26)25(32)20-11-9-19(10-12-20)24(31)18-7-4-3-5-8-18/h3-5,7-14,17H,6,15-16H2,1-2H3

InChI Key

BSNKIGHVDRDLII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09972656

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-4.69

Polar Surface Area

42.708

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E677-0404 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E677-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0404?
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What is the minimum amount of E677-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0404
  • 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 E677-0404 available by request