T502-0536 Screening compound: ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate

T502-0536 Screening compound: ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate
T502-0536 Screening compound: ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-0536
ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate

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

T502-0536

Molecular Formula

C16H26FN3O5 (C16 H26 FN3 O5)

Compound Name

ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(CC1)CCC1(C(N1CCOCC1)=O)F)=O)=O

InChI

InChI=1S/C16H26FN3O5/c1-2-25-13(21)3-6-18-15(23)20-7-4-16(17,5-8-20)14(22)19-9-11-24-12-10-19/h2-12H2,1H3,(H,18,23)

InChI Key

ACIRUDMURSGTJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.032

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-0.58

Polar Surface Area

71.858

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.25

T502-0536 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T502-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-0536?
Check Price and Availability of T502-0536, 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 T502-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-0536
  • 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 T502-0536 available by request