T630-2439 Screening compound: [4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](2,6-dimethoxy-3-pyridyl)methanone

T630-2439 Screening compound: [4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](2,6-dimethoxy-3-pyridyl)methanone
T630-2439 Screening compound: [4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](2,6-dimethoxy-3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2439
[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](2,6-dimethoxy-3-pyridyl)methanone

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

T630-2439

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](2,6-dimethoxy-3-pyridyl)methanone

IUPAC name

3-[4-(5-cyclopropyl-4H-124-triazol-3-yl)piperidine-1-carbonyl]-26-dimethoxypyridine

SMILES

COc(cc1)nc(OC)c1C(N(CC1)CCC1c1nnc(C2CC2)[nH]1)=O

InChI

InChI=1S/C18H23N5O3/c1-25-14-6-5-13(17(19-14)26-2)18(24)23-9-7-12(8-10-23)16-20-15(21-22-16)11-3-4-11/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21,22)

InChI Key

AJHYRCOPBONACB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.68

Polar Surface Area

75.285

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

T630-2439 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T630-2439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2439?
Check Price and Availability of T630-2439, 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 T630-2439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2439
  • 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 T630-2439 available by request