D175-0031 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine

D175-0031 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine
D175-0031 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0031
{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)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

D175-0031

Molecular Formula

C13H15N5S (C13 H15 N5 S)

Compound Name

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

IUPAC name

{2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine

SMILES

Cn1nnnc1SCCNCC#Cc1ccccc1

InChI

InChI=1S/C13H15N5S/c1-18-13(15-16-17-18)19-11-10-14-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,14H,9-11H2,1H3

InChI Key

VXJAYEGPALIBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05881863

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

273.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-1.67

Polar Surface Area

52.031

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D175-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D175-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0031?
Check Price and Availability of D175-0031, 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 D175-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0031
  • 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 D175-0031 available by request