T829-0836 Screening compound: 2-(4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}piperazin-1-yl)pyrimidine

T829-0836 Screening compound: 2-(4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}piperazin-1-yl)pyrimidine
T829-0836 Screening compound: 2-(4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-0836
2-(4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}piperazin-1-yl)pyrimidine

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

T829-0836

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

2-(4-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{2-methyl-5-[(4-methylphenyl)methyl]-4H5H6H7H-furo[32-c]pyridine-3-carbonyl}piperazin-1-yl)pyrimidine

SMILES

Cc1c(C(N(CC2)CCN2c2ncccn2)=O)c(CN(Cc2ccc(C)cc2)CC2)c2o1

InChI

InChI=1S/C25H29N5O2/c1-18-4-6-20(7-5-18)16-28-11-8-22-21(17-28)23(19(2)32-22)24(31)29-12-14-30(15-13-29)25-26-9-3-10-27-25/h3-7,9-10H,8,11-17H2,1-2H3

InChI Key

JKOKNOCQOGNUDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

-1.961

Water Solubility, LogSw

-3.44

Polar Surface Area

50.131

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T829-0836 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T829-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-0836?
Check Price and Availability of T829-0836, 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 T829-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-0836
  • 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 T829-0836 available by request