T508-0187 Screening compound: N~8~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-oxo-7-phenyl-1,2,3,5-tetrahydro-8-indolizinecarboxamide

T508-0187 Screening compound: N~8~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-oxo-7-phenyl-1,2,3,5-tetrahydro-8-indolizinecarboxamide
T508-0187 Screening compound: N~8~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-oxo-7-phenyl-1,2,3,5-tetrahydro-8-indolizinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T508-0187
N~8~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-oxo-7-phenyl-1,2,3,5-tetrahydro-8-indolizinecarboxamide

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

T508-0187

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

N~8~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-oxo-7-phenyl-1,2,3,5-tetrahydro-8-indolizinecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-5-oxo-7-phenyl-1235-tetrahydroindolizine-8-carboxamide

SMILES

O=C(C(C(c1ccccc1)=C1)=C(CCC2)N2C1=O)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C19H20N2O4S/c22-17-11-15(13-5-2-1-3-6-13)18(16-7-4-9-21(16)17)19(23)20-14-8-10-26(24,25)12-14/h1-3,5-6,11,14H,4,7-10,12H2,(H,20,23)/t14-/m1/s1

InChI Key

QSASNWJZLXRMQP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31973407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.518

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-2.15

Polar Surface Area

69.670

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

T508-0187 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T508-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T508-0187?
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What is the minimum amount of T508-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T508-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T508-0187
  • 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 T508-0187 available by request