E677-0691 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide

E677-0691 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide
E677-0691 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0691
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide

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

E677-0691

Molecular Formula

C21H24BrN3O2S (C21 H24 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCCN(C(CCOc1ccccc1)=O)c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C21H24BrN3O2S/c1-24(2)12-6-13-25(20(26)11-14-27-17-7-4-3-5-8-17)21-23-18-10-9-16(22)15-19(18)28-21/h3-5,7-10,15H,6,11-14H2,1-2H3

InChI Key

YSAOXNVJEFKPLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985641

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

462.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-4.60

Polar Surface Area

36.131

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E677-0691 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E677-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0691?
Check Price and Availability of E677-0691, 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 E677-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0691
  • 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 E677-0691 available by request