8009-2833 Screening compound: 5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

8009-2833 Screening compound: 5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
8009-2833 Screening compound: 5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2833
5-[(2,3-dimethylphenoxy)methyl]-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

8009-2833

Molecular Formula

C11H13N3OS (C11 H13 N3 OS)

Compound Name

5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

IUPAC name

5-[(23-dimethylphenoxy)methyl]-134-thiadiazol-2-amine

SMILES

Cc1cccc(OCc2nnc(N)s2)c1C

InChI

InChI=1S/C11H13N3OS/c1-7-4-3-5-9(8(7)2)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)

InChI Key

QGXXUPNUTLOJFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01346791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.43

Polar Surface Area

52.350

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8009-2833 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8009-2833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2833?
Check Price and Availability of 8009-2833, 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 8009-2833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2833
  • 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 8009-2833 available by request