D660-0023 Screening compound: {[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D660-0023 Screening compound: {[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D660-0023 Screening compound: {[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D660-0023
{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})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

D660-0023

Molecular Formula

C19H22BrN5O2S (C19 H22 BrN5 O2 S)

Compound Name

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

IUPAC name

{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc1OC)cc(Br)c1OCc1ccccc1

InChI

InChI=1S/C19H22BrN5O2S/c1-25-19(22-23-24-25)28-9-8-21-12-15-10-16(20)18(17(11-15)26-2)27-13-14-6-4-3-5-7-14/h3-7,10-11,21H,8-9,12-13H2,1-2H3

InChI Key

JESXBDZAJJTXBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884158

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

464.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

-1.149

Water Solubility, LogSw

-3.38

Polar Surface Area

67.220

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D660-0023 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D660-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D660-0023?
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What is the minimum amount of D660-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D660-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D660-0023
  • 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 D660-0023 available by request