T629-2685 Screening compound: (5-methyl-2-thienyl){3-[5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone

T629-2685 Screening compound: (5-methyl-2-thienyl){3-[5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone
T629-2685 Screening compound: (5-methyl-2-thienyl){3-[5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-2685
(5-methyl-2-thienyl){3-[5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]piperidino}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

T629-2685

Molecular Formula

C17H18N6OS (C17 H18 N6 OS)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1ccc(C(N(CCC2)CC2c2nnc(-c3nccnc3)[nH]2)=O)s1

InChI

InChI=1S/C17H18N6OS/c1-11-4-5-14(25-11)17(24)23-8-2-3-12(10-23)15-20-16(22-21-15)13-9-18-6-7-19-13/h4-7,9,12H,2-3,8,10H2,1H3,(H,20,21,22)/t12-/m0/s1

InChI Key

KEQMUVVXHGASJP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29027999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-1.89

Polar Surface Area

69.918

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

T629-2685 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-2685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-2685?
Check Price and Availability of T629-2685, 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 T629-2685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-2685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-2685
  • 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 T629-2685 available by request