T829-2052 Screening compound: {2-methyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl}(morpholino)methanone

T829-2052 Screening compound: {2-methyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl}(morpholino)methanone
T829-2052 Screening compound: {2-methyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-2052
{2-methyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl}(morpholino)methanone

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

T829-2052

Molecular Formula

C19H24N2O3S (C19 H24 N2 O3 S)

Compound Name

{2-methyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl}(morpholino)methanone

IUPAC name

4-{2-methyl-5-[(3-methylthiophen-2-yl)methyl]-4H5H6H7H-furo[32-c]pyridine-3-carbonyl}morpholine

SMILES

Cc1c(CN(CC2)Cc3c2oc(C)c3C(N2CCOCC2)=O)scc1

InChI

InChI=1S/C19H24N2O3S/c1-13-4-10-25-17(13)12-20-5-3-16-15(11-20)18(14(2)24-16)19(22)21-6-8-23-9-7-21/h4,10H,3,5-9,11-12H2,1-2H3

InChI Key

FHHQKSQULCBTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

-2.108

Water Solubility, LogSw

-2.39

Polar Surface Area

37.436

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

11.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

T829-2052 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Eye
  • Cancer
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T829-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-2052?
Check Price and Availability of T829-2052, 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 T829-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-2052
  • 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 T829-2052 available by request