E677-1042 Screening compound: 4-butoxy-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

E677-1042 Screening compound: 4-butoxy-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
E677-1042 Screening compound: 4-butoxy-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-1042
4-butoxy-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

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

E677-1042

Molecular Formula

C24H31N3O3S (C24 H31 N3 O3 S)

Compound Name

4-butoxy-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-butoxy-N-[3-(dimethylamino)propyl]-N-(4-methoxy-13-benzothiazol-2-yl)benzamide

SMILES

CCCCOc(cc1)ccc1C(N(CCCN(C)C)c1nc(c(OC)ccc2)c2s1)=O

InChI

InChI=1S/C24H31N3O3S/c1-5-6-17-30-19-13-11-18(12-14-19)23(28)27(16-8-15-26(2)3)24-25-22-20(29-4)9-7-10-21(22)31-24/h7,9-14H,5-6,8,15-17H2,1-4H3

InChI Key

OZYGMZGKHXPGSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985723

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

441.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-4.84

Polar Surface Area

45.059

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E677-1042 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E677-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-1042?
Check Price and Availability of E677-1042, 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 E677-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-1042
  • 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 E677-1042 available by request