T630-1613 Screening compound: 1-[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(3-thienyl)-1-ethanone

T630-1613 Screening compound: 1-[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(3-thienyl)-1-ethanone
T630-1613 Screening compound: 1-[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(3-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-1613
1-[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(3-thienyl)-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

T630-1613

Molecular Formula

C15H20N4OS (C15 H20 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(C(CC2)CCN2C(Cc2cscc2)=O)[nH]1

InChI

InChI=1S/C15H20N4OS/c1-2-13-16-15(18-17-13)12-3-6-19(7-4-12)14(20)9-11-5-8-21-10-11/h5,8,10,12H,2-4,6-7,9H2,1H3,(H,16,17,18)

InChI Key

BVKVAQUOGVQZFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.42

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

1.613

Distribution Coefficient, logD

1.611

Water Solubility, LogSw

-2.33

Polar Surface Area

52.153

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

T630-1613 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T630-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-1613?
Check Price and Availability of T630-1613, 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 T630-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-1613
  • 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 T630-1613 available by request