T630-2416 Screening compound: 2-(methylamino)-1-[4-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidino]-1-ethanone

T630-2416 Screening compound: 2-(methylamino)-1-[4-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidino]-1-ethanone
T630-2416 Screening compound: 2-(methylamino)-1-[4-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2416
2-(methylamino)-1-[4-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidino]-1-ethanone

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

T630-2416

Molecular Formula

C16H21N5O (C16 H21 N5 O)

Compound Name

2-(methylamino)-1-[4-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidino]-1-ethanone

IUPAC name

2-(methylamino)-1-[4-(5-phenyl-4H-124-triazol-3-yl)piperidin-1-yl]ethan-1-one

SMILES

CNCC(N(CC1)CCC1c1nnc(-c2ccccc2)[nH]1)=O

InChI

InChI=1S/C16H21N5O/c1-17-11-14(22)21-9-7-13(8-10-21)16-18-15(19-20-16)12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,18,19,20)

InChI Key

GHGUJUSZBXHWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031445

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.524

Distribution Coefficient, logD

-0.660

Water Solubility, LogSw

-1.68

Polar Surface Area

62.119

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

T630-2416 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T630-2416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2416?
Check Price and Availability of T630-2416, 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 T630-2416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2416
  • 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 T630-2416 available by request