T630-2017 Screening compound: 6-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]quinoline

T630-2017 Screening compound: 6-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]quinoline
T630-2017 Screening compound: 6-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2017
6-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]quinoline

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

T630-2017

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

6-[4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]quinoline

IUPAC name

6-[4-(5-methyl-4H-124-triazol-3-yl)piperidine-1-carbonyl]quinoline

SMILES

Cc1nnc(C(CC2)CCN2C(c2cc3cccnc3cc2)=O)[nH]1

InChI

InChI=1S/C18H19N5O/c1-12-20-17(22-21-12)13-6-9-23(10-7-13)18(24)15-4-5-16-14(11-15)3-2-8-19-16/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,21,22)

InChI Key

ZKTZKRHFFXMJIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.041

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-2.08

Polar Surface Area

59.047

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T630-2017 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T630-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2017?
Check Price and Availability of T630-2017, 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 T630-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2017
  • 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 T630-2017 available by request