D272-0547 Screening compound: {[2-(benzyloxy)-5-bromophenyl]methyl}({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

D272-0547 Screening compound: {[2-(benzyloxy)-5-bromophenyl]methyl}({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine
D272-0547 Screening compound: {[2-(benzyloxy)-5-bromophenyl]methyl}({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0547
{[2-(benzyloxy)-5-bromophenyl]methyl}({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

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

D272-0547

Molecular Formula

C19H22BrN5OS (C19 H22 BrN5 OS)

Compound Name

{[2-(benzyloxy)-5-bromophenyl]methyl}({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

IUPAC name

{[2-(benzyloxy)-5-bromophenyl]methyl}({3-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]propyl})amine

SMILES

Cn1nnnc1SCCCNCc(cc(cc1)Br)c1OCc1ccccc1

InChI

InChI=1S/C19H22BrN5OS/c1-25-19(22-23-24-25)27-11-5-10-21-13-16-12-17(20)8-9-18(16)26-14-15-6-3-2-4-7-15/h2-4,6-9,12,21H,5,10-11,13-14H2,1H3

InChI Key

AAMDBHPARRHOIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434561

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

448.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-3.80

Polar Surface Area

59.503

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D272-0547 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D272-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0547?
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What is the minimum amount of D272-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0547
  • 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 D272-0547 available by request