D272-0453 Screening compound: [(2-fluorophenyl)methyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

D272-0453 Screening compound: [(2-fluorophenyl)methyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine
D272-0453 Screening compound: [(2-fluorophenyl)methyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0453
[(2-fluorophenyl)methyl]({3-[(1-phenyl-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

D272-0453

Molecular Formula

C17H18FN5S (C17 H18 FN5 S)

Compound Name

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

IUPAC name

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

SMILES

Fc1c(CNCCCSc2nnnn2-c2ccccc2)cccc1

InChI

InChI=1S/C17H18FN5S/c18-16-10-5-4-7-14(16)13-19-11-6-12-24-17-20-21-22-23(17)15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2

InChI Key

AYGQWLHOMJRPSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434487

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

1.214

Water Solubility, LogSw

-3.12

Polar Surface Area

51.768

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D272-0453 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D272-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0453?
Check Price and Availability of D272-0453, 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 D272-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0453
  • 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 D272-0453 available by request