8016-9721 Screening compound: 4-[3,4-dihydro-1(2H)-quinolinyl]-6-[1-(2-pyridylsulfanyl)ethyl]-1,3,5-triazin-2-amine

8016-9721 Screening compound: 4-[3,4-dihydro-1(2H)-quinolinyl]-6-[1-(2-pyridylsulfanyl)ethyl]-1,3,5-triazin-2-amine
8016-9721 Screening compound: 4-[3,4-dihydro-1(2H)-quinolinyl]-6-[1-(2-pyridylsulfanyl)ethyl]-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9721
4-[3,4-dihydro-1(2H)-quinolinyl]-6-[1-(2-pyridylsulfanyl)ethyl]-1,3,5-triazin-2-amine

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

8016-9721

Molecular Formula

C19H20N6S (C19 H20 N6 S)

Compound Name

4-[3,4-dihydro-1(2H)-quinolinyl]-6-[1-(2-pyridylsulfanyl)ethyl]-1,3,5-triazin-2-amine

IUPAC name

4-[1-(pyridin-2-ylsulfanyl)ethyl]-6-(1234-tetrahydroquinolin-1-yl)-135-triazin-2-amine

SMILES

CC(c1nc(N(CCC2)c3c2cccc3)nc(N)n1)Sc1ncccc1

InChI

InChI=1S/C19H20N6S/c1-13(26-16-10-4-5-11-21-16)17-22-18(20)24-19(23-17)25-12-6-8-14-7-2-3-9-15(14)25/h2-5,7,9-11,13H,6,8,12H2,1H3,(H2,20,22,23,24)/t13-/m0/s1

InChI Key

HPUUJJPMKLOZBO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05860706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.39

Polar Surface Area

59.752

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

8016-9721 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9721 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8016-9721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9721
  • 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 8016-9721 available by request