K822-0036 Screening compound: 3-(2,3-dimethyl-1H-indol-5-yl)-4-(3,4-dimethylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

K822-0036 Screening compound: 3-(2,3-dimethyl-1H-indol-5-yl)-4-(3,4-dimethylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
K822-0036 Screening compound: 3-(2,3-dimethyl-1H-indol-5-yl)-4-(3,4-dimethylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0036
3-(2,3-dimethyl-1H-indol-5-yl)-4-(3,4-dimethylphenyl)-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

K822-0036

Molecular Formula

C20H20N4S (C20 H20 N4 S)

Compound Name

3-(2,3-dimethyl-1H-indol-5-yl)-4-(3,4-dimethylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(23-dimethyl-1H-indol-5-yl)-4-(34-dimethylphenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

Cc1c(C)[nH]c(cc2)c1cc2C(N1c2cc(C)c(C)cc2)=NNC1=S

InChI

InChI=1S/C20H20N4S/c1-11-5-7-16(9-12(11)2)24-19(22-23-20(24)25)15-6-8-18-17(10-15)13(3)14(4)21-18/h5-10,21H,1-4H3,(H,23,25)

InChI Key

BDHMHOJBUXPCKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-5.70

Polar Surface Area

36.899

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K822-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0036?
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What is the minimum amount of K822-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0036
  • 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 K822-0036 available by request