T630-2465 Screening compound: 1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

T630-2465 Screening compound: 1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
T630-2465 Screening compound: 1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2465
1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

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

T630-2465

Molecular Formula

C16H20N4OS (C16 H20 N4 OS)

Compound Name

1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

IUPAC name

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

SMILES

O=C(Cc1cccs1)N(CC1)CCC1c1nnc(C2CC2)[nH]1

InChI

InChI=1S/C16H20N4OS/c21-14(10-13-2-1-9-22-13)20-7-5-12(6-8-20)16-17-15(18-19-16)11-3-4-11/h1-2,9,11-12H,3-8,10H2,(H,17,18,19)

InChI Key

NSDOFZKEFITXJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.545

Water Solubility, LogSw

-2.29

Polar Surface Area

51.414

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

T630-2465 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T630-2465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2465?
Check Price and Availability of T630-2465, 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 T630-2465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2465
  • 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 T630-2465 available by request