T629-2445 Screening compound: {3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidino}(4-pyridyl)methanone

T629-2445 Screening compound: {3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidino}(4-pyridyl)methanone
T629-2445 Screening compound: {3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidino}(4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-2445
{3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidino}(4-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

T629-2445

Molecular Formula

C19H18FN5O (C19 H18 FN5 O)

Compound Name

{3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidino}(4-pyridyl)methanone

IUPAC name

4-{3-[5-(4-fluorophenyl)-4H-124-triazol-3-yl]piperidine-1-carbonyl}pyridine

SMILES

O=C(c1ccncc1)N(CCC1)CC1c1nnc(-c(cc2)ccc2F)[nH]1

InChI

InChI=1S/C19H18FN5O/c20-16-5-3-13(4-6-16)17-22-18(24-23-17)15-2-1-11-25(12-15)19(26)14-7-9-21-10-8-14/h3-10,15H,1-2,11-12H2,(H,22,23,24)/t15-/m0/s1

InChI Key

SCMHSTZJDFVDOL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29027991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-1.64

Polar Surface Area

59.762

Acid Dissociation Constant (pKa)

3.93

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

T629-2445 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-2445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-2445?
Check Price and Availability of T629-2445, 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 T629-2445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-2445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-2445
  • 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 T629-2445 available by request