T629-2404 Screening compound: 3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(thiophene-3-carbonyl)piperidine

T629-2404 Screening compound: 3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(thiophene-3-carbonyl)piperidine
T629-2404 Screening compound: 3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(thiophene-3-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-2404
3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1-(thiophene-3-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

T629-2404

Molecular Formula

C18H17FN4OS (C18 H17 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cscc1)N(CCC1)CC1c1nnc(-c(cc2)ccc2F)[nH]1

InChI

InChI=1S/C18H17FN4OS/c19-15-5-3-12(4-6-15)16-20-17(22-21-16)13-2-1-8-23(10-13)18(24)14-7-9-25-11-14/h3-7,9,11,13H,1-2,8,10H2,(H,20,21,22)/t13-/m0/s1

InChI Key

HGNSQTNJCLITEK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29027988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

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

2.722

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.08

Polar Surface Area

51.352

Acid Dissociation Constant (pKa)

3.93

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

T629-2404 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-2404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-2404?
Check Price and Availability of T629-2404, 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 T629-2404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-2404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-2404
  • 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 T629-2404 available by request