T630-2481 Screening compound: [4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](3-methyl-2-thienyl)methanone

T630-2481 Screening compound: [4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](3-methyl-2-thienyl)methanone
T630-2481 Screening compound: [4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](3-methyl-2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2481
[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](3-methyl-2-thienyl)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

T630-2481

Molecular Formula

C16H20N4OS (C16 H20 N4 OS)

Compound Name

[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino](3-methyl-2-thienyl)methanone

IUPAC name

4-(5-cyclopropyl-4H-124-triazol-3-yl)-1-(3-methylthiophene-2-carbonyl)piperidine

SMILES

Cc1c(C(N(CC2)CCC2c2nnc(C3CC3)[nH]2)=O)scc1

InChI

InChI=1S/C16H20N4OS/c1-10-6-9-22-13(10)16(21)20-7-4-12(5-8-20)15-17-14(18-19-15)11-2-3-11/h6,9,11-12H,2-5,7-8H2,1H3,(H,17,18,19)

InChI Key

JPFZRKHVXSIPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30468641

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

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.49

Polar Surface Area

51.942

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

T630-2481 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 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

References: we are preparing a list of scientific research reports with T630-2481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2481?
Check Price and Availability of T630-2481, 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 T630-2481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2481
  • 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 T630-2481 available by request