1345-2749 Screening compound: 4-[(E)-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-N,N-dimethylaniline

1345-2749 Screening compound: 4-[(E)-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-N,N-dimethylaniline
1345-2749 Screening compound: 4-[(E)-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1345-2749
4-[(E)-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-N,N-dimethylaniline

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

1345-2749

Molecular Formula

C17H17BrN2O2 (C17 H17 BrN2 O2)

Compound Name

4-[(E)-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-N,N-dimethylaniline

IUPAC name

4-[(E)-[(8-bromo-23-dihydro-14-benzodioxin-6-yl)imino]methyl]-NN-dimethylaniline

SMILES

CN(C)c1ccc(/C=N/c2cc(Br)c3OCCOc3c2)cc1

InChI

InChI=1S/C17H17BrN2O2/c1-20(2)14-5-3-12(4-6-14)11-19-13-9-15(18)17-16(10-13)21-7-8-22-17/h3-6,9-11H,7-8H2,1-2H3

InChI Key

DRBZRGPGRWAZFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.69

Polar Surface Area

26.678

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1345-2749 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1345-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1345-2749?
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What is the minimum amount of 1345-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1345-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1345-2749
  • 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 1345-2749 available by request