T502-1741 Screening compound: ethyl 3-[(4-fluoro-4-{[(pyridin-4-yl)methyl]carbamoyl}piperidine-1-carbonyl)amino]propanoate

T502-1741 Screening compound: ethyl 3-[(4-fluoro-4-{[(pyridin-4-yl)methyl]carbamoyl}piperidine-1-carbonyl)amino]propanoate
T502-1741 Screening compound: ethyl 3-[(4-fluoro-4-{[(pyridin-4-yl)methyl]carbamoyl}piperidine-1-carbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1741
ethyl 3-[(4-fluoro-4-{[(pyridin-4-yl)methyl]carbamoyl}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

T502-1741

Molecular Formula

C18H25FN4O4 (C18 H25 FN4 O4)

Compound Name

ethyl 3-[(4-fluoro-4-{[(pyridin-4-yl)methyl]carbamoyl}piperidine-1-carbonyl)amino]propanoate

IUPAC name

ethyl 3-[(4-fluoro-4-{[(pyridin-4-yl)methyl]carbamoyl}piperidine-1-carbonyl)amino]propanoate

SMILES

CCOC(CCNC(N(CC1)CCC1(C(NCc1ccncc1)=O)F)=O)=O

InChI

InChI=1S/C18H25FN4O4/c1-2-27-15(24)5-10-21-17(26)23-11-6-18(19,7-12-23)16(25)22-13-14-3-8-20-9-4-14/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,21,26)(H,22,25)

InChI Key

JQKLGXJJAOATKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.247

Distribution Coefficient, logD

0.243

Water Solubility, LogSw

-1.14

Polar Surface Area

81.143

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

T502-1741 in Drug Discovery

Included in Screening Libraries

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

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

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

References: we are preparing a list of scientific research reports with T502-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1741?
Check Price and Availability of T502-1741, 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 T502-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1741
  • 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 T502-1741 available by request