2106-0243 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

2106-0243 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
2106-0243 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2106-0243
5-[(3,4-dimethoxyphenyl)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

2106-0243

Molecular Formula

C11H13N3O2S (C11 H13 N3 O2 S)

Compound Name

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

IUPAC name

5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-amine

SMILES

COc(ccc(Cc1nnc(N)s1)c1)c1OC

InChI

InChI=1S/C11H13N3O2S/c1-15-8-4-3-7(5-9(8)16-2)6-10-13-14-11(12)17-10/h3-5H,6H2,1-2H3,(H2,12,14)

InChI Key

BKKKEBSOCPEXSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00980511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.195

Distribution Coefficient, logD

1.195

Water Solubility, LogSw

-2.15

Polar Surface Area

60.025

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

2106-0243 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2106-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2106-0243?
Check Price and Availability of 2106-0243, 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 2106-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2106-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2106-0243
  • 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 2106-0243 available by request