5161-0121 Screening compound: 1-[4-(piperidin-1-yl)-6-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroquinoline

5161-0121 Screening compound: 1-[4-(piperidin-1-yl)-6-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroquinoline
5161-0121 Screening compound: 1-[4-(piperidin-1-yl)-6-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5161-0121
1-[4-(piperidin-1-yl)-6-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroquinoline

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

5161-0121

Molecular Formula

C26H30N6 (C26 H30 N6)

Compound Name

1-[4-(piperidin-1-yl)-6-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[4-(piperidin-1-yl)-6-(1234-tetrahydroquinolin-1-yl)-135-triazin-2-yl]-1234-tetrahydroquinoline

SMILES

C(CC1)CCN1c1nc(N(CCC2)c3c2cccc3)nc(N(CCC2)c3c2cccc3)n1

InChI

InChI=1S/C26H30N6/c1-6-16-30(17-7-1)24-27-25(31-18-8-12-20-10-2-4-14-22(20)31)29-26(28-24)32-19-9-13-21-11-3-5-15-23(21)32/h2-5,10-11,14-15H,1,6-9,12-13,16-19H2

InChI Key

LXPWPDPWJZTCPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.550

Distribution Coefficient, logD

7.550

Water Solubility, LogSw

-6.22

Polar Surface Area

34.572

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

5161-0121 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5161-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5161-0121?
Check Price and Availability of 5161-0121, 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 5161-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5161-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5161-0121
  • 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 5161-0121 available by request