T508-0118 Screening compound: 5-oxo-7-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,5-tetrahydroindolizine-8-carboxamide

T508-0118 Screening compound: 5-oxo-7-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,5-tetrahydroindolizine-8-carboxamide
T508-0118 Screening compound: 5-oxo-7-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,5-tetrahydroindolizine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T508-0118
5-oxo-7-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,5-tetrahydroindolizine-8-carboxamide

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

T508-0118

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

5-oxo-7-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,5-tetrahydroindolizine-8-carboxamide

IUPAC name

5-oxo-7-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-1235-tetrahydroindolizine-8-carboxamide

SMILES

O=C(C(C(c1ccccc1)=C1)=C(CCC2)N2C1=O)NCCN1CCCC1

InChI

InChI=1S/C21H25N3O2/c25-19-15-17(16-7-2-1-3-8-16)20(18-9-6-13-24(18)19)21(26)22-10-14-23-11-4-5-12-23/h1-3,7-8,15H,4-6,9-14H2,(H,22,26)

InChI Key

WXRDRVYRJOGHDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.616

Distribution Coefficient, logD

-0.730

Water Solubility, LogSw

-2.04

Polar Surface Area

45.698

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

T508-0118 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T508-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T508-0118?
Check Price and Availability of T508-0118, 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 T508-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T508-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T508-0118
  • 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 T508-0118 available by request