8007-0640 Screening compound: 3-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

8007-0640 Screening compound: 3-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
8007-0640 Screening compound: 3-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0640
3-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

8007-0640

Molecular Formula

C10H11N3OS (C10 H11 N3 OS)

Compound Name

3-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(4-ethoxyphenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

CCOc(cc1)ccc1C(N1)=NNC1=S

InChI

InChI=1S/C10H11N3OS/c1-2-14-8-5-3-7(4-6-8)9-11-10(15)13-12-9/h3-6H,2H2,1H3,(H2,11,12,13,15)

InChI Key

QSZIYNKGEUXAHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

-1.145

Water Solubility, LogSw

-2.61

Polar Surface Area

43.523

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8007-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0640?
Check Price and Availability of 8007-0640, 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 8007-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0640
  • 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 8007-0640 available by request