D660-0088 Screening compound: {[2-(benzyloxy)-5-chlorophenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D660-0088 Screening compound: {[2-(benzyloxy)-5-chlorophenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D660-0088 Screening compound: {[2-(benzyloxy)-5-chlorophenyl]methyl}({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D660-0088
{[2-(benzyloxy)-5-chlorophenyl]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

D660-0088

Molecular Formula

C18H20ClN5OS (C18 H20 ClN5 OS)

Compound Name

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

IUPAC name

{[2-(benzyloxy)-5-chlorophenyl]methyl}({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc(cc1)Cl)c1OCc1ccccc1

InChI

InChI=1S/C18H20ClN5OS/c1-24-18(21-22-23-24)26-10-9-20-12-15-11-16(19)7-8-17(15)25-13-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3

InChI Key

HFXFDAATZIEGHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884181

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

389.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-3.56

Polar Surface Area

59.503

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D660-0088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 D660-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D660-0088?
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What is the minimum amount of D660-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D660-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D660-0088
  • 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 D660-0088 available by request