K822-0009 Screening compound: 4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

K822-0009 Screening compound: 4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
K822-0009 Screening compound: 4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0009
4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-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

K822-0009

Molecular Formula

C10H10N4S (C10 H10 N4 S)

Compound Name

4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

C=CCN(C(c1ccncc1)=NN1)C1=S

InChI

InChI=1S/C10H10N4S/c1-2-7-14-9(12-13-10(14)15)8-3-5-11-6-4-8/h2-6H,1,7H2,(H,13,15)

InChI Key

YDSITGDYTVXFBE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.649

Distribution Coefficient, logD

1.233

Water Solubility, LogSw

-1.64

Polar Surface Area

37.263

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K822-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0009?
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What is the minimum amount of K822-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0009
  • 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 K822-0009 available by request