T505-0344 Screening compound: (3-fluoro-4-methoxyphenyl)(2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidino)methanone

T505-0344 Screening compound: (3-fluoro-4-methoxyphenyl)(2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidino)methanone
T505-0344 Screening compound: (3-fluoro-4-methoxyphenyl)(2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-0344
(3-fluoro-4-methoxyphenyl)(2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}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

T505-0344

Molecular Formula

C24H27FN4O3 (C24 H27 FN4 O3)

Compound Name

(3-fluoro-4-methoxyphenyl)(2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidino)methanone

IUPAC name

n/a

SMILES

COc(ccc(C(N1C(CCn2nnc(COc3ccccc3)c2)CCCC1)=O)c1)c1F

InChI

InChI=1S/C24H27FN4O3/c1-31-23-11-10-18(15-22(23)25)24(30)29-13-6-5-7-20(29)12-14-28-16-19(26-27-28)17-32-21-8-3-2-4-9-21/h2-4,8-11,15-16,20H,5-7,12-14,17H2,1H3/t20-/m1/s1

InChI Key

RQHIRLDNCSXWCE-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.79

Polar Surface Area

58.378

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

T505-0344 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T505-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-0344?
Check Price and Availability of T505-0344, 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 T505-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-0344
  • 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 T505-0344 available by request