E677-0946 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-3-carboxamide

E677-0946 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-3-carboxamide
E677-0946 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0946
N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-3-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

E677-0946

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[3-(dimethylamino)propyl]-N-(4-methyl-13-benzothiazol-2-yl)-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc1cccc2c1nc(N(CCCN(C)C)C(C1=Cc(cccc3)c3OC1=O)=O)s2

InChI

InChI=1S/C23H23N3O3S/c1-15-8-6-11-19-20(15)24-23(30-19)26(13-7-12-25(2)3)21(27)17-14-16-9-4-5-10-18(16)29-22(17)28/h4-6,8-11,14H,7,12-13H2,1-3H3

InChI Key

VIEYZWBXLUSXFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985696

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-4.29

Polar Surface Area

50.933

Acid Dissociation Constant (pKa)

24.66

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E677-0946 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with E677-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0946?
Check Price and Availability of E677-0946, 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 E677-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0946
  • 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 E677-0946 available by request