E677-0117 Screening compound: N~2~-[3-(dimethylamino)propyl]-N~2~-(6-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide

E677-0117 Screening compound: N~2~-[3-(dimethylamino)propyl]-N~2~-(6-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
E677-0117 Screening compound: N~2~-[3-(dimethylamino)propyl]-N~2~-(6-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0117
N~2~-[3-(dimethylamino)propyl]-N~2~-(6-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide

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

E677-0117

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

N~2~-[3-(dimethylamino)propyl]-N~2~-(6-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1nc(N(CCCN(C)C)C(C1=COCCO1)=O)s2

InChI

InChI=1S/C18H23N3O3S/c1-13-5-6-14-16(11-13)25-18(19-14)21(8-4-7-20(2)3)17(22)15-12-23-9-10-24-15/h5-6,11-12H,4,7-10H2,1-3H3

InChI Key

XZAKYJGCWFABKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985519

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

0.215

Water Solubility, LogSw

-2.75

Polar Surface Area

46.653

Acid Dissociation Constant (pKa)

24.66

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E677-0117 in Drug Discovery

Included in Screening Libraries

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 E677-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0117?
Check Price and Availability of E677-0117, 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 E677-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0117
  • 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 E677-0117 available by request