8012-1503 Screening compound: 4-ethyl-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

8012-1503 Screening compound: 4-ethyl-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
8012-1503 Screening compound: 4-ethyl-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1503
4-ethyl-3-(3-nitrophenyl)-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

8012-1503

Molecular Formula

C10H10N4O2S (C10 H10 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(c1cc([N+]([O-])=O)ccc1)=NN1)C1=S

InChI

InChI=1S/C10H10N4O2S/c1-2-13-9(11-12-10(13)17)7-4-3-5-8(6-7)14(15)16/h3-6H,2H2,1H3,(H,12,17)

InChI Key

OPDJIMWSFJWMHI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.92

Polar Surface Area

60.963

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8012-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1503?
Check Price and Availability of 8012-1503, 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 8012-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1503
  • 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 8012-1503 available by request