E677-0681 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclohexanecarboxamide

E677-0681 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclohexanecarboxamide
E677-0681 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0681
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclohexanecarboxamide

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

E677-0681

Molecular Formula

C19H26BrN3OS (C19 H26 BrN3 OS)

Compound Name

N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclohexanecarboxamide

IUPAC name

N-(6-bromo-13-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclohexanecarboxamide

SMILES

CN(C)CCCN(C(C1CCCCC1)=O)c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C19H26BrN3OS/c1-22(2)11-6-12-23(18(24)14-7-4-3-5-8-14)19-21-16-10-9-15(20)13-17(16)25-19/h9-10,13-14H,3-8,11-12H2,1-2H3

InChI Key

LJUGFKRXYAIBAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985639

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-4.65

Polar Surface Area

29.433

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

E677-0681 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E677-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0681?
Check Price and Availability of E677-0681, 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 E677-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0681
  • 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 E677-0681 available by request