4802-0163 Screening compound: 2-{4,6-bis[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-3-methyl-2,5-dihydro-1,2,4-thiadiazole-5-thione

4802-0163 Screening compound: 2-{4,6-bis[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-3-methyl-2,5-dihydro-1,2,4-thiadiazole-5-thione
4802-0163 Screening compound: 2-{4,6-bis[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-3-methyl-2,5-dihydro-1,2,4-thiadiazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0163
2-{4,6-bis[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-3-methyl-2,5-dihydro-1,2,4-thiadiazole-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

4802-0163

Molecular Formula

C20H19N7S2 (C20 H19 N7 S2)

Compound Name

2-{4,6-bis[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-3-methyl-2,5-dihydro-1,2,4-thiadiazole-5-thione

IUPAC name

2-{46-bis[(4-methylphenyl)amino]-135-triazin-2-yl}-3-methyl-25-dihydro-124-thiadiazole-5-thione

SMILES

CC(N(c1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1)S1)=NC1=S

InChI

InChI=1S/C20H19N7S2/c1-12-4-8-15(9-5-12)22-17-24-18(23-16-10-6-13(2)7-11-16)26-19(25-17)27-14(3)21-20(28)29-27/h4-11H,1-3H3,(H2,22,23,24,25,26)

InChI Key

HNMLSBRZHNKQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.598

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-5.98

Polar Surface Area

60.412

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

10.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4802-0163 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4802-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0163?
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What is the minimum amount of 4802-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0163
  • 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 4802-0163 available by request