E676-1401 Screening compound: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylbenzamide

E676-1401 Screening compound: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylbenzamide
E676-1401 Screening compound: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-1401
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylbenzamide

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

E676-1401

Molecular Formula

C19H20ClN3OS (C19 H20 ClN3 OS)

Compound Name

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylbenzamide

IUPAC name

N-(4-chloro-13-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylbenzamide

SMILES

Cc1cccc(C(N(CCN(C)C)c(sc2ccc3)nc2c3Cl)=O)c1

InChI

InChI=1S/C19H20ClN3OS/c1-13-6-4-7-14(12-13)18(24)23(11-10-22(2)3)19-21-17-15(20)8-5-9-16(17)25-19/h4-9,12H,10-11H2,1-3H3

InChI Key

XRSFOPICOMPKFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984902

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

373.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.56

Polar Surface Area

30.011

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E676-1401 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with E676-1401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-1401?
Check Price and Availability of E676-1401, 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 E676-1401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-1401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-1401
  • 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 E676-1401 available by request