E676-3546 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-5,6-dihydro-1,4-dioxine-2-carboxamide

E676-3546 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-5,6-dihydro-1,4-dioxine-2-carboxamide
E676-3546 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-5,6-dihydro-1,4-dioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-3546
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-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

E676-3546

Molecular Formula

C18H22BrN3O3S (C18 H22 BrN3 O3 S)

Compound Name

N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-5,6-dihydro-1,4-dioxine-2-carboxamide

IUPAC name

N-(6-bromo-13-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-56-dihydro-14-dioxine-2-carboxamide

SMILES

CCN(CC)CCN(C(C1=COCCO1)=O)c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C18H22BrN3O3S/c1-3-21(4-2)7-8-22(17(23)15-12-24-9-10-25-15)18-20-14-6-5-13(19)11-16(14)26-18/h5-6,11-12H,3-4,7-10H2,1-2H3

InChI Key

GUCRDJUYOGQHKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985257

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

440.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-3.55

Polar Surface Area

46.198

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E676-3546 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E676-3546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-3546?
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What is the minimum amount of E676-3546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-3546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-3546
  • 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 E676-3546 available by request