E676-1010 Screening compound: N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

E676-1010 Screening compound: N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
E676-1010 Screening compound: N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-1010
N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

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

E676-1010

Molecular Formula

C21H25N3OS2 (C21 H25 N3 OS2)

Compound Name

N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

IUPAC name

N-[2-(dimethylamino)ethyl]-N-(4-methyl-13-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

SMILES

Cc1cccc2c1nc(N(CCN(C)C)C(CCSc1ccccc1)=O)s2

InChI

InChI=1S/C21H25N3OS2/c1-16-8-7-11-18-20(16)22-21(27-18)24(14-13-23(2)3)19(25)12-15-26-17-9-5-4-6-10-17/h4-11H,12-15H2,1-3H3

InChI Key

XEXWKRVOUCLQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984834

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

399.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.59

Polar Surface Area

29.484

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E676-1010 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E676-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-1010?
Check Price and Availability of E676-1010, 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 E676-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-1010
  • 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 E676-1010 available by request