K822-0002 Screening compound: 4-BENZYL-3-(2,3-DIMETHYL-1H-INDOL-5-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE

K822-0002 Screening compound: 4-BENZYL-3-(2,3-DIMETHYL-1H-INDOL-5-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
K822-0002 Screening compound: 4-BENZYL-3-(2,3-DIMETHYL-1H-INDOL-5-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0002
4-BENZYL-3-(2,3-DIMETHYL-1H-INDOL-5-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

K822-0002

Molecular Formula

C19H18N4S (C19 H18 N4 S)

Compound Name

4-BENZYL-3-(2,3-DIMETHYL-1H-INDOL-5-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE

IUPAC name

n/a

SMILES

Cc1c(C)[nH]c(cc2)c1cc2C(N1Cc2ccccc2)=NNC1=S

InChI

InChI=1S/C19H18N4S/c1-12-13(2)20-17-9-8-15(10-16(12)17)18-21-22-19(24)23(18)11-14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3,(H,22,24)

InChI Key

GMUBRDAIMBJLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02320330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.58

Polar Surface Area

37.511

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

K822-0002 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K822-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0002?
Check Price and Availability of K822-0002, 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 K822-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0002
  • 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 K822-0002 available by request