D272-0545 Screening compound: [(2-ethoxyphenyl)methyl]({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

D272-0545 Screening compound: [(2-ethoxyphenyl)methyl]({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine
D272-0545 Screening compound: [(2-ethoxyphenyl)methyl]({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0545
[(2-ethoxyphenyl)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

D272-0545

Molecular Formula

C14H21N5OS (C14 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNCCCSc2nnnn2C)cccc1

InChI

InChI=1S/C14H21N5OS/c1-3-20-13-8-5-4-7-12(13)11-15-9-6-10-21-14-16-17-18-19(14)2/h4-5,7-8,15H,3,6,9-11H2,1-2H3

InChI Key

ZOIDDKJQPCHEKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434506

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

307.42

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

1.630

Distribution Coefficient, logD

-1.303

Water Solubility, LogSw

-2.13

Polar Surface Area

59.399

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

10.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D272-0545 in Drug Discovery

Included in Screening Libraries

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 D272-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0545?
Check Price and Availability of D272-0545, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D272-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0545
  • 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 D272-0545 available by request