T829-0854 Screening compound: 4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}thiomorpholine

T829-0854 Screening compound: 4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}thiomorpholine
T829-0854 Screening compound: 4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-0854
4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}thiomorpholine

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

T829-0854

Molecular Formula

C21H26N2O2S (C21 H26 N2 O2 S)

Compound Name

4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}thiomorpholine

IUPAC name

4-{2-methyl-5-[(4-methylphenyl)methyl]-4H5H6H7H-furo[32-c]pyridine-3-carbonyl}thiomorpholine

SMILES

Cc1c(C(N2CCSCC2)=O)c(CN(Cc2ccc(C)cc2)CC2)c2o1

InChI

InChI=1S/C21H26N2O2S/c1-15-3-5-17(6-4-15)13-22-8-7-19-18(14-22)20(16(2)25-19)21(24)23-9-11-26-12-10-23/h3-6H,7-14H2,1-2H3

InChI Key

YYBCZYXPJBOWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

-2.336

Water Solubility, LogSw

-3.18

Polar Surface Area

28.509

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

T829-0854 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T829-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-0854?
Check Price and Availability of T829-0854, 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 T829-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-0854
  • 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 T829-0854 available by request