5390-1479 Screening compound: 2-{3-[2-(4-bromophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

5390-1479 Screening compound: 2-{3-[2-(4-bromophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol
5390-1479 Screening compound: 2-{3-[2-(4-bromophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5390-1479
2-{3-[2-(4-bromophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

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

5390-1479

Molecular Formula

C17H18BrN3O2 (C17 H18 BrN3 O2)

Compound Name

2-{3-[2-(4-bromophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

IUPAC name

2-{3-[2-(4-bromophenoxy)ethyl]-2-imino-23-dihydro-1H-13-benzodiazol-1-yl}ethan-1-ol

SMILES

N=C1N(CCOc(cc2)ccc2Br)c(cccc2)c2N1CCO

InChI

InChI=1S/C17H18BrN3O2/c18-13-5-7-14(8-6-13)23-12-10-21-16-4-2-1-3-15(16)20(9-11-22)17(21)19/h1-8,19,22H,9-12H2

InChI Key

DPLWQLLECMDNHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293870

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

376.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.22

Polar Surface Area

45.884

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 5390-1479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5390-1479?
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What is the minimum amount of 5390-1479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5390-1479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5390-1479
  • 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 5390-1479 available by request