3098-0089 Screening compound: 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine

3098-0089 Screening compound: 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
3098-0089 Screening compound: 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3098-0089
5-(1-phenylethyl)-1,3,4-thiadiazol-2-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

3098-0089

Molecular Formula

C10H11N3S (C10 H11 N3 S)

Compound Name

5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine

IUPAC name

5-(1-phenylethyl)-134-thiadiazol-2-amine

SMILES

CC(c1nnc(N)s1)c1ccccc1

InChI

InChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13)/t7-/m1/s1

InChI Key

KFYSQDMAJLTMTR-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD01591631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.21

Polar Surface Area

44.269

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3098-0089 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 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
  • Pool
  • Fragments
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3098-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3098-0089?
Check Price and Availability of 3098-0089, 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 3098-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3098-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3098-0089
  • 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 3098-0089 available by request