T629-2398 Screening compound: 3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

T629-2398 Screening compound: 3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine
T629-2398 Screening compound: 3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-2398
3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

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

T629-2398

Molecular Formula

C19H20FN5O (C19 H20 FN5 O)

Compound Name

3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

IUPAC name

3-[5-(4-fluorophenyl)-4H-124-triazol-3-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

SMILES

Cn1c(C(N(CCC2)CC2c2nnc(-c(cc3)ccc3F)[nH]2)=O)ccc1

InChI

InChI=1S/C19H20FN5O/c1-24-10-3-5-16(24)19(26)25-11-2-4-14(12-25)18-21-17(22-23-18)13-6-8-15(20)9-7-13/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,22,23)/t14-/m0/s1

InChI Key

BPKSRHGSXQSBQC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29027987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.10

Polar Surface Area

52.750

Acid Dissociation Constant (pKa)

3.93

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

T629-2398 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 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:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-2398?
Check Price and Availability of T629-2398, 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 T629-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-2398
  • 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 T629-2398 available by request