T502-1251 Screening compound: 4-fluoro-1-(3-fluoro-4-methoxybenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

T502-1251 Screening compound: 4-fluoro-1-(3-fluoro-4-methoxybenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine
T502-1251 Screening compound: 4-fluoro-1-(3-fluoro-4-methoxybenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1251
4-fluoro-1-(3-fluoro-4-methoxybenzoyl)-4-(pyrrolidine-1-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

T502-1251

Molecular Formula

C18H22F2N2O3 (C18 H22 F2 N2 O3)

Compound Name

4-fluoro-1-(3-fluoro-4-methoxybenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

IUPAC name

4-fluoro-1-(3-fluoro-4-methoxybenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

SMILES

COc(ccc(C(N(CC1)CCC1(C(N1CCCC1)=O)F)=O)c1)c1F

InChI

InChI=1S/C18H22F2N2O3/c1-25-15-5-4-13(12-14(15)19)16(23)21-10-6-18(20,7-11-21)17(24)22-8-2-3-9-22/h4-5,12H,2-3,6-11H2,1H3

InChI Key

WWFGSTUHFIZYOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.827

Water Solubility, LogSw

-2.04

Polar Surface Area

41.531

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

T502-1251 in Drug Discovery

Included in Screening Libraries

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

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 T502-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1251?
Check Price and Availability of T502-1251, 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 T502-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1251
  • 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 T502-1251 available by request